2-[7a-methyl-4-[2-(3-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol

C22H34O — CID 90736483

IUPAC2-[7a-methyl-4-[2-(3-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol
SMILESC=C1C(=CC=C2CCCC3(C)C(CCO)CCC23)CCCC1C
InChIInChI=1S/C22H34O/c1-16-6-4-7-18(17(16)2)9-10-19-8-5-14-22(3)20(13-15-23)11-12-21(19)22/h9-10,16,20-21,23H,2,4-8,11-15H2,1,3H3
InChIKeyRQPHXGIIYUEUAQ-UHFFFAOYSA-N
MW314.51 g/mol
LogP5.81
Rot. Bonds3

About 2-[7a-methyl-4-[2-(3-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol

2-[7a-methyl-4-[2-(3-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol (PubChem CID 90736483) has the molecular formula C22H34O and a molecular weight of 314.51 g/mol. Its IUPAC name is 2-[7a-methyl-4-[2-(3-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol.

Molecular Properties

Compound Name2-[7a-methyl-4-[2-(3-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol
PubChem CID90736483
Molecular FormulaC22H34O
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Name2-[7a-methyl-4-[2-(3-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol
SMILESC=C1C(=CC=C2CCCC3(C)C(CCO)CCC23)CCCC1C
InChIInChI=1S/C22H34O/c1-16-6-4-7-18(17(16)2)9-10-19-8-5-14-22(3)20(13-15-23)11-12-21(19)22/h9-10,16,20-21,23H,2,4-8,11-15H2,1,3H3
InChIKeyRQPHXGIIYUEUAQ-UHFFFAOYSA-N
XLogP5.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3Z)-3-[(2E)-2-[(1R)-7a-methyl-1-(2-pyrrolidin-1-ylethyl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
CID 170043991
(4E,7aR)-1-ethyl-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 143647453
6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylhex-3-yn-2-ol
CID 143226984
(4E)-7a-methyl-1-(5-methylhexyl)-4-[(2Z)-2-(2-methylidenecycloheptylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 144680786
(3Z)-3-[(2E)-2-[7a-methyl-1-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-6-methyl-2-methylidenecyclohexan-1-ol
CID 170044088
(4E,7aR)-7a-methyl-1-[(E)-5-methylhex-2-enyl]-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 143647718
(4E)-7a-methyl-1-[(E)-5-methylhex-2-enyl]-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene;ethane
CID 142019823
(4E)-7a-methyl-1-(5-methylhexyl)-4-[(2E)-2-(4-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 153370565
2-[(3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]acetaldehyde
CID 89191868
1-[[(3aS,4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]methyl]piperidine
CID 170045186
(5E)-5-[(2Z)-2-[(1S,7aR)-1,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 59966631
(3Z)-3-[(2E)-2-(7a-methyl-1-propan-2-yl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene]-1,5-dimethyl-4-methylidenecyclohexan-1-ol
CID 142023428

Frequently Asked Questions

What is the IUPAC name of 2-[7a-methyl-4-[2-(3-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol?
The IUPAC name of 2-[7a-methyl-4-[2-(3-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol (CID 90736483) is 2-[7a-methyl-4-[2-(3-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol.
What is the SMILES notation for 2-[7a-methyl-4-[2-(3-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol?
The canonical SMILES for 2-[7a-methyl-4-[2-(3-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol is C=C1C(=CC=C2CCCC3(C)C(CCO)CCC23)CCCC1C.
What is the InChIKey of 2-[7a-methyl-4-[2-(3-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol?
The InChIKey is RQPHXGIIYUEUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O/c1-16-6-4-7-18(17(16)2)9-10-19-8-5-14-22(3)20(13-15-23)11-12-21(19)22/h9-10,16,20-21,23H,2,4-8,11-15H2,1,3H3.
What are the key properties of 2-[7a-methyl-4-[2-(3-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol?
2-[7a-methyl-4-[2-(3-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol has a molecular weight of 314.51 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7a-methyl-4-[2-(3-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]ethanol is sourced from PubChem (CID 90736483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).