(E,6R)-6-(4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-2-methylhept-4-en-2-ol

C19H34O — CID 142882338

IUPAC(E,6R)-6-(4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-2-methylhept-4-en-2-ol
SMILESCC1CCCC2(C)C1CCC2[C@H](C)/C=C/CC(C)(C)O
InChIInChI=1S/C19H34O/c1-14(8-6-12-18(3,4)20)16-10-11-17-15(2)9-7-13-19(16,17)5/h6,8,14-17,20H,7,9-13H2,1-5H3/b8-6+/t14-,15?,16?,17?,19?/m1/s1
InChIKeyRFVWACWODOMWDU-XRLSKRNVSA-N
MW278.48 g/mol
LogP5.19
Rot. Bonds4

About (E,6R)-6-(4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-2-methylhept-4-en-2-ol

(E,6R)-6-(4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-2-methylhept-4-en-2-ol (PubChem CID 142882338) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is (E,6R)-6-(4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-2-methylhept-4-en-2-ol.

Molecular Properties

Compound Name(E,6R)-6-(4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-2-methylhept-4-en-2-ol
PubChem CID142882338
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name(E,6R)-6-(4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-2-methylhept-4-en-2-ol
SMILESCC1CCCC2(C)C1CCC2[C@H](C)/C=C/CC(C)(C)O
InChIInChI=1S/C19H34O/c1-14(8-6-12-18(3,4)20)16-10-11-17-15(2)9-7-13-19(16,17)5/h6,8,14-17,20H,7,9-13H2,1-5H3/b8-6+/t14-,15?,16?,17?,19?/m1/s1
InChIKeyRFVWACWODOMWDU-XRLSKRNVSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(2S)-2-[(4S,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal
CID 59885325
(2S)-2-[(1R,4S,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol
CID 59043396
trans-(1R,3R)-5-[(2E)-2-[1-[(E,2R)-6-hydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
CID 10363769
(1S,3R,8S,9S,10R,13R,14S,17R)-17-[(Z,2R)-6-hydroxy-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
CID 70556137
trans-(1R,3R)-5-[2-[(1R,3aS,7aR)-1-[(2S)-6-hydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
CID 123169329
(5R)-5-[(1R,3aS,4S,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]hexan-1-ol
CID 58987876
(1R,3aS,4R,7aS)-1-[5-(2-hydroxy-2-propylpentoxy)pent-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 57069418
(E,1S,4R)-4-[(1R,3aS,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-1-cyclopropylpent-2-en-1-ol;(1R,3aR,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one;methane
CID 162189622
methyl (4R)-4-[(1R,3aS,4S,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]pentanoate
CID 71100147
(3R)-2-(2-hydroxyethylidene)-5-[(2E)-2-[1-[(E,2R)-6-hydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
CID 154541567
2-[(1S)-1-[(4S,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]ethyl]-5,5-dimethylhexanenitrile
CID 58446707
(3aR,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 59084022

Frequently Asked Questions

What is the IUPAC name of (E,6R)-6-(4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-2-methylhept-4-en-2-ol?
The IUPAC name of (E,6R)-6-(4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-2-methylhept-4-en-2-ol (CID 142882338) is (E,6R)-6-(4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-2-methylhept-4-en-2-ol.
What is the SMILES notation for (E,6R)-6-(4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-2-methylhept-4-en-2-ol?
The canonical SMILES for (E,6R)-6-(4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-2-methylhept-4-en-2-ol is CC1CCCC2(C)C1CCC2[C@H](C)/C=C/CC(C)(C)O.
What is the InChIKey of (E,6R)-6-(4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-2-methylhept-4-en-2-ol?
The InChIKey is RFVWACWODOMWDU-XRLSKRNVSA-N. The full InChI is InChI=1S/C19H34O/c1-14(8-6-12-18(3,4)20)16-10-11-17-15(2)9-7-13-19(16,17)5/h6,8,14-17,20H,7,9-13H2,1-5H3/b8-6+/t14-,15?,16?,17?,19?/m1/s1.
What are the key properties of (E,6R)-6-(4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-2-methylhept-4-en-2-ol?
(E,6R)-6-(4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-2-methylhept-4-en-2-ol has a molecular weight of 278.48 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-6-(4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl)-2-methylhept-4-en-2-ol is sourced from PubChem (CID 142882338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).