(1S,3aR,4S,5S,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol

C15H26O — CID 162914978

IUPAC(1S,3aR,4S,5S,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol
SMILESCC(C)=C[C@@]1(O)[C@@H]2CC[C@H](C)[C@@H]2CC[C@@H]1C
InChIInChI=1S/C15H26O/c1-10(2)9-15(16)12(4)6-7-13-11(3)5-8-14(13)15/h9,11-14,16H,5-8H2,1-4H3/t11-,12-,13-,14+,15-/m0/s1
InChIKeyJOARPSTUQGJONT-LXFSFDBISA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds1

About (1S,3aR,4S,5S,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol

(1S,3aR,4S,5S,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol (PubChem CID 162914978) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1S,3aR,4S,5S,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol.

Molecular Properties

Compound Name(1S,3aR,4S,5S,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol
PubChem CID162914978
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1S,3aR,4S,5S,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol
SMILESCC(C)=C[C@@]1(O)[C@@H]2CC[C@H](C)[C@@H]2CC[C@@H]1C
InChIInChI=1S/C15H26O/c1-10(2)9-15(16)12(4)6-7-13-11(3)5-8-14(13)15/h9,11-14,16H,5-8H2,1-4H3/t11-,12-,13-,14+,15-/m0/s1
InChIKeyJOARPSTUQGJONT-LXFSFDBISA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,3aR,4S,5S,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol with MolForge

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Related Compounds

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CID 91747130
1,4,7,7a-tetramethyl-1,2,3,3a,4,5,6,7-octahydroindene
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(1aS,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyl-2,3,4,4a,5,6,7,7b-octahydro-1aH-cyclopropa[e]azulen-7a-ol
CID 162899416
(1R,3aR,4R,7aS)-1,6,6-trimethyl-4-prop-1-en-2-yl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-ol
CID 10013822
(1aR,4aR,7S,7aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene
CID 171038638
1-[(3S,3aS,5R,8R,8aS)-8-hydroxy-3,8-dimethyl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulen-5-yl]ethanone
CID 11447439
(1R,3aS,4S,7R,8aR)-1,4-dimethyl-7-(6-methylhepta-1,5-dien-2-yl)-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-ol
CID 162846564
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CID 147718738
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Frequently Asked Questions

What is the IUPAC name of (1S,3aR,4S,5S,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol?
The IUPAC name of (1S,3aR,4S,5S,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol (CID 162914978) is (1S,3aR,4S,5S,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol.
What is the SMILES notation for (1S,3aR,4S,5S,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol?
The canonical SMILES for (1S,3aR,4S,5S,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol is CC(C)=C[C@@]1(O)[C@@H]2CC[C@H](C)[C@@H]2CC[C@@H]1C.
What is the InChIKey of (1S,3aR,4S,5S,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol?
The InChIKey is JOARPSTUQGJONT-LXFSFDBISA-N. The full InChI is InChI=1S/C15H26O/c1-10(2)9-15(16)12(4)6-7-13-11(3)5-8-14(13)15/h9,11-14,16H,5-8H2,1-4H3/t11-,12-,13-,14+,15-/m0/s1.
What are the key properties of (1S,3aR,4S,5S,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol?
(1S,3aR,4S,5S,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol has a molecular weight of 222.37 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aR,4S,5S,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ol is sourced from PubChem (CID 162914978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).