1-[(1S)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]-2-methylpropan-1-ol

C15H26O — CID 6428328

IUPAC1-[(1S)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]-2-methylpropan-1-ol
SMILESC=C1CCCC2(C)CC[C@H](C(O)C(C)C)C12
InChIInChI=1S/C15H26O/c1-10(2)14(16)12-7-9-15(4)8-5-6-11(3)13(12)15/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13?,14?,15?/m0/s1
InChIKeyHKWKGGMAKOLVEY-NAOUJUTFSA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds2

About 1-[(1S)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]-2-methylpropan-1-ol

1-[(1S)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]-2-methylpropan-1-ol (PubChem CID 6428328) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-[(1S)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[(1S)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]-2-methylpropan-1-ol
PubChem CID6428328
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-[(1S)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]-2-methylpropan-1-ol
SMILESC=C1CCCC2(C)CC[C@H](C(O)C(C)C)C12
InChIInChI=1S/C15H26O/c1-10(2)14(16)12-7-9-15(4)8-5-6-11(3)13(12)15/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13?,14?,15?/m0/s1
InChIKeyHKWKGGMAKOLVEY-NAOUJUTFSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[(1S)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]-2-methylpropan-1-ol (CID 6428328) is 1-[(1S)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[(1S)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[(1S)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]-2-methylpropan-1-ol is C=C1CCCC2(C)CC[C@H](C(O)C(C)C)C12.
What is the InChIKey of 1-[(1S)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]-2-methylpropan-1-ol?
The InChIKey is HKWKGGMAKOLVEY-NAOUJUTFSA-N. The full InChI is InChI=1S/C15H26O/c1-10(2)14(16)12-7-9-15(4)8-5-6-11(3)13(12)15/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13?,14?,15?/m0/s1.
What are the key properties of 1-[(1S)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]-2-methylpropan-1-ol?
1-[(1S)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]-2-methylpropan-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 6428328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).