3-ethylidene-7-methylidene-4-propan-2-yl-2,3a,4,5,6,7a-hexahydro-1H-inden-2-ol

C15H24O — CID 162996192

IUPAC3-ethylidene-7-methylidene-4-propan-2-yl-2,3a,4,5,6,7a-hexahydro-1H-inden-2-ol
SMILESC=C1CCC(C(C)C)C2C(=CC)C(O)CC12
InChIInChI=1S/C15H24O/c1-5-11-14(16)8-13-10(4)6-7-12(9(2)3)15(11)13/h5,9,12-16H,4,6-8H2,1-3H3
InChIKeyCYRJURSLHWHHQL-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.55
Rot. Bonds1

About 3-ethylidene-7-methylidene-4-propan-2-yl-2,3a,4,5,6,7a-hexahydro-1H-inden-2-ol

3-ethylidene-7-methylidene-4-propan-2-yl-2,3a,4,5,6,7a-hexahydro-1H-inden-2-ol (PubChem CID 162996192) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-ethylidene-7-methylidene-4-propan-2-yl-2,3a,4,5,6,7a-hexahydro-1H-inden-2-ol.

Molecular Properties

Compound Name3-ethylidene-7-methylidene-4-propan-2-yl-2,3a,4,5,6,7a-hexahydro-1H-inden-2-ol
PubChem CID162996192
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name3-ethylidene-7-methylidene-4-propan-2-yl-2,3a,4,5,6,7a-hexahydro-1H-inden-2-ol
SMILESC=C1CCC(C(C)C)C2C(=CC)C(O)CC12
InChIInChI=1S/C15H24O/c1-5-11-14(16)8-13-10(4)6-7-12(9(2)3)15(11)13/h5,9,12-16H,4,6-8H2,1-3H3
InChIKeyCYRJURSLHWHHQL-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylidene-5-propan-2-ylcyclohexan-1-ol
CID 12642437
1-[(1S,7S)-4-methylidene-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone
CID 102299473
5-methyl-2-methylidene-8-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-naphthalen-1-ol
CID 101417497
(1S,4aS,6R,7E,11Z,12aS)-6-hydroxy-11-methoxycarbonyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,9,10,12a-octahydro-1H-benzo[10]annulene-7-carboxylic acid
CID 156581082
(3S,3aS,4S,7aR)-3-[(1S)-1-hydroxyethyl]-7-methylidene-4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-1H-inden-2-one
CID 14414551
(4aR,5S,8aS)-3-methyl-8-methylidene-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
CID 637423
(3aR,6aS,8S,9aS,9bS)-8-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
CID 162925335
(3aS,4R,5S,8aR)-3-methyl-5-(6-methylhept-5-en-2-yl)-8-methylidene-3a,4,5,6,7,8a-hexahydro-1H-azulen-4-ol
CID 23426378
(3S,3aR,4S,7aR)-3-ethyl-7-methylidene-4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-1H-inden-2-one
CID 162880118
(1S,3S,3aS,7S,7aS)-4-methylidene-3-(2-methylprop-2-enyl)-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-2-benzofuran-1-ol
CID 139114976
4-fluoro-1-methylidene-2-propan-2-ylcyclohexane
CID 123303828
(1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol
CID 102076041

Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-7-methylidene-4-propan-2-yl-2,3a,4,5,6,7a-hexahydro-1H-inden-2-ol?
The IUPAC name of 3-ethylidene-7-methylidene-4-propan-2-yl-2,3a,4,5,6,7a-hexahydro-1H-inden-2-ol (CID 162996192) is 3-ethylidene-7-methylidene-4-propan-2-yl-2,3a,4,5,6,7a-hexahydro-1H-inden-2-ol.
What is the SMILES notation for 3-ethylidene-7-methylidene-4-propan-2-yl-2,3a,4,5,6,7a-hexahydro-1H-inden-2-ol?
The canonical SMILES for 3-ethylidene-7-methylidene-4-propan-2-yl-2,3a,4,5,6,7a-hexahydro-1H-inden-2-ol is C=C1CCC(C(C)C)C2C(=CC)C(O)CC12.
What is the InChIKey of 3-ethylidene-7-methylidene-4-propan-2-yl-2,3a,4,5,6,7a-hexahydro-1H-inden-2-ol?
The InChIKey is CYRJURSLHWHHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-11-14(16)8-13-10(4)6-7-12(9(2)3)15(11)13/h5,9,12-16H,4,6-8H2,1-3H3.
What are the key properties of 3-ethylidene-7-methylidene-4-propan-2-yl-2,3a,4,5,6,7a-hexahydro-1H-inden-2-ol?
3-ethylidene-7-methylidene-4-propan-2-yl-2,3a,4,5,6,7a-hexahydro-1H-inden-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-7-methylidene-4-propan-2-yl-2,3a,4,5,6,7a-hexahydro-1H-inden-2-ol is sourced from PubChem (CID 162996192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).