(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-ol

C25H38O2 — CID 10832991

IUPAC(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-ol
SMILESC=C1COC/C1=C/C=C1\C=CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12
InChIInChI=1S/C25H38O2/c1-18(8-6-14-24(3,4)26)22-12-13-23-20(9-7-15-25(22,23)5)10-11-21-17-27-16-19(21)2/h7,9-11,18,22-23,26H,2,6,8,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23+,25-/m1/s1
InChIKeyNYPALJWRYZHOFM-KTZDGRMWSA-N
MW370.58 g/mol
LogP6.00
Rot. Bonds6

About (6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-ol

(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-ol (PubChem CID 10832991) has the molecular formula C25H38O2 and a molecular weight of 370.58 g/mol. Its IUPAC name is (6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-ol.

Molecular Properties

Compound Name(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-ol
PubChem CID10832991
Molecular FormulaC25H38O2
Molecular Weight370.58 g/mol
Exact Mass370.29
IUPAC Name(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-ol
SMILESC=C1COC/C1=C/C=C1\C=CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12
InChIInChI=1S/C25H38O2/c1-18(8-6-14-24(3,4)26)22-12-13-23-20(9-7-15-25(22,23)5)10-11-21-17-27-16-19(21)2/h7,9-11,18,22-23,26H,2,6,8,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23+,25-/m1/s1
InChIKeyNYPALJWRYZHOFM-KTZDGRMWSA-N
XLogP6.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-trimethylsilane
CID 10765662
(2R,4Z)-4-[(2E)-2-[(1R,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methylidenecyclohexane-1,2-diol
CID 174910674
(1S,3Z)-3-[(2E)-2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 6474052
(5E)-5-[(2E)-2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2,4-dimethylidenecyclohexan-1-ol
CID 126565615
6-[(1R,4E,7aR)-7a-methyl-4-[(2Z)-2-[(5R)-5-(methylamino)-2-methylidenecyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol
CID 162495884
trans-(1S,2R,3Z)-3-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,2-diol
CID 138987994
(1S,2S,3R,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methyl-4-methylidenecyclohexane-1,3-diol
CID 12020390
(1R,2S,3R,5E)-5-[(2E)-2-[1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methyl-4-methylidenecyclohexane-1,3-diol
CID 59067050
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7a-(trideuteriomethyl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 71679078
(1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methyl-4-methylidenecyclohexane-1,3-diol
CID 163880615
(1R,2S,3S,5E)-5-[(2E)-2-[1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methyl-4-methylidenecyclohexane-1,3-diol
CID 59067054
trans-(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
CID 126549796

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-ol?
The IUPAC name of (6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-ol (CID 10832991) is (6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-ol.
What is the SMILES notation for (6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-ol?
The canonical SMILES for (6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-ol is C=C1COC/C1=C/C=C1\C=CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12.
What is the InChIKey of (6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-ol?
The InChIKey is NYPALJWRYZHOFM-KTZDGRMWSA-N. The full InChI is InChI=1S/C25H38O2/c1-18(8-6-14-24(3,4)26)22-12-13-23-20(9-7-15-25(22,23)5)10-11-21-17-27-16-19(21)2/h7,9-11,18,22-23,26H,2,6,8,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23+,25-/m1/s1.
What are the key properties of (6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-ol?
(6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-ol has a molecular weight of 370.58 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(1R,3aR,4E,7aR)-7a-methyl-4-[(2E)-2-(4-methylideneoxolan-3-ylidene)ethylidene]-2,3,3a,7-tetrahydro-1H-inden-1-yl]-2-methylheptan-2-ol is sourced from PubChem (CID 10832991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).