(6R)-6-[(1R,3aR,7aR)-7a-methyl-4-[(Z)-2-(5-methyl-3,6-dihydro-2H-pyran-4-yl)ethenyl]-1,2,3,3a,6,7-hexahydroinden-1-yl]-2-methylheptan-2-ol

C26H42O2 — CID 14034661

IUPAC(6R)-6-[(1R,3aR,7aR)-7a-methyl-4-[(Z)-2-(5-methyl-3,6-dihydro-2H-pyran-4-yl)ethenyl]-1,2,3,3a,6,7-hexahydroinden-1-yl]-2-methylheptan-2-ol
SMILESCC1=C(/C=C\C2=CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)CCOC1
InChIInChI=1S/C26H42O2/c1-19(8-6-15-25(3,4)27)23-12-13-24-22(9-7-16-26(23,24)5)11-10-21-14-17-28-18-20(21)2/h9-11,19,23-24,27H,6-8,12-18H2,1-5H3/b11-10-/t19-,23-,24+,26-/m1/s1
InChIKeyWONJDPMPQJZUNJ-ODDJTDRCSA-N
MW386.62 g/mol
LogP6.61
Rot. Bonds7

About (6R)-6-[(1R,3aR,7aR)-7a-methyl-4-[(Z)-2-(5-methyl-3,6-dihydro-2H-pyran-4-yl)ethenyl]-1,2,3,3a,6,7-hexahydroinden-1-yl]-2-methylheptan-2-ol

(6R)-6-[(1R,3aR,7aR)-7a-methyl-4-[(Z)-2-(5-methyl-3,6-dihydro-2H-pyran-4-yl)ethenyl]-1,2,3,3a,6,7-hexahydroinden-1-yl]-2-methylheptan-2-ol (PubChem CID 14034661) has the molecular formula C26H42O2 and a molecular weight of 386.62 g/mol. Its IUPAC name is (6R)-6-[(1R,3aR,7aR)-7a-methyl-4-[(Z)-2-(5-methyl-3,6-dihydro-2H-pyran-4-yl)ethenyl]-1,2,3,3a,6,7-hexahydroinden-1-yl]-2-methylheptan-2-ol.

Molecular Properties

Compound Name(6R)-6-[(1R,3aR,7aR)-7a-methyl-4-[(Z)-2-(5-methyl-3,6-dihydro-2H-pyran-4-yl)ethenyl]-1,2,3,3a,6,7-hexahydroinden-1-yl]-2-methylheptan-2-ol
PubChem CID14034661
Molecular FormulaC26H42O2
Molecular Weight386.62 g/mol
Exact Mass386.32
IUPAC Name(6R)-6-[(1R,3aR,7aR)-7a-methyl-4-[(Z)-2-(5-methyl-3,6-dihydro-2H-pyran-4-yl)ethenyl]-1,2,3,3a,6,7-hexahydroinden-1-yl]-2-methylheptan-2-ol
SMILESCC1=C(/C=C\C2=CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)CCOC1
InChIInChI=1S/C26H42O2/c1-19(8-6-15-25(3,4)27)23-12-13-24-22(9-7-16-26(23,24)5)11-10-21-14-17-28-18-20(21)2/h9-11,19,23-24,27H,6-8,12-18H2,1-5H3/b11-10-/t19-,23-,24+,26-/m1/s1
InChIKeyWONJDPMPQJZUNJ-ODDJTDRCSA-N
XLogP6.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6R)-6-[(1R,3aR,7aR)-7a-methyl-4-[(Z)-2-(5-methyl-3,6-dihydro-2H-pyran-4-yl)ethenyl]-1,2,3,3a,6,7-hexahydroinden-1-yl]-2-methylheptan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(1R,3aR,7aR)-7a-methyl-4-[(Z)-2-(5-methyl-3,6-dihydro-2H-pyran-4-yl)ethenyl]-1,2,3,3a,6,7-hexahydroinden-1-yl]-2-methylheptan-2-ol?
The IUPAC name of (6R)-6-[(1R,3aR,7aR)-7a-methyl-4-[(Z)-2-(5-methyl-3,6-dihydro-2H-pyran-4-yl)ethenyl]-1,2,3,3a,6,7-hexahydroinden-1-yl]-2-methylheptan-2-ol (CID 14034661) is (6R)-6-[(1R,3aR,7aR)-7a-methyl-4-[(Z)-2-(5-methyl-3,6-dihydro-2H-pyran-4-yl)ethenyl]-1,2,3,3a,6,7-hexahydroinden-1-yl]-2-methylheptan-2-ol.
What is the SMILES notation for (6R)-6-[(1R,3aR,7aR)-7a-methyl-4-[(Z)-2-(5-methyl-3,6-dihydro-2H-pyran-4-yl)ethenyl]-1,2,3,3a,6,7-hexahydroinden-1-yl]-2-methylheptan-2-ol?
The canonical SMILES for (6R)-6-[(1R,3aR,7aR)-7a-methyl-4-[(Z)-2-(5-methyl-3,6-dihydro-2H-pyran-4-yl)ethenyl]-1,2,3,3a,6,7-hexahydroinden-1-yl]-2-methylheptan-2-ol is CC1=C(/C=C\C2=CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)CCOC1.
What is the InChIKey of (6R)-6-[(1R,3aR,7aR)-7a-methyl-4-[(Z)-2-(5-methyl-3,6-dihydro-2H-pyran-4-yl)ethenyl]-1,2,3,3a,6,7-hexahydroinden-1-yl]-2-methylheptan-2-ol?
The InChIKey is WONJDPMPQJZUNJ-ODDJTDRCSA-N. The full InChI is InChI=1S/C26H42O2/c1-19(8-6-15-25(3,4)27)23-12-13-24-22(9-7-16-26(23,24)5)11-10-21-14-17-28-18-20(21)2/h9-11,19,23-24,27H,6-8,12-18H2,1-5H3/b11-10-/t19-,23-,24+,26-/m1/s1.
What are the key properties of (6R)-6-[(1R,3aR,7aR)-7a-methyl-4-[(Z)-2-(5-methyl-3,6-dihydro-2H-pyran-4-yl)ethenyl]-1,2,3,3a,6,7-hexahydroinden-1-yl]-2-methylheptan-2-ol?
(6R)-6-[(1R,3aR,7aR)-7a-methyl-4-[(Z)-2-(5-methyl-3,6-dihydro-2H-pyran-4-yl)ethenyl]-1,2,3,3a,6,7-hexahydroinden-1-yl]-2-methylheptan-2-ol has a molecular weight of 386.62 g/mol, XLogP of 6.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(1R,3aR,7aR)-7a-methyl-4-[(Z)-2-(5-methyl-3,6-dihydro-2H-pyran-4-yl)ethenyl]-1,2,3,3a,6,7-hexahydroinden-1-yl]-2-methylheptan-2-ol is sourced from PubChem (CID 14034661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).