[(2S,3aR,7aS)-3a,4,4,7a-tetramethyl-3-methylidene-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol

C15H26O — CID 162869125

IUPAC[(2S,3aR,7aS)-3a,4,4,7a-tetramethyl-3-methylidene-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol
SMILESC=C1[C@@H](CO)C[C@]2(C)CCCC(C)(C)[C@@]12C
InChIInChI=1S/C15H26O/c1-11-12(10-16)9-14(4)8-6-7-13(2,3)15(11,14)5/h12,16H,1,6-10H2,2-5H3/t12-,14+,15-/m1/s1
InChIKeyZAJCGIUTBZQWJO-VHDGCEQUSA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds1

About [(2S,3aR,7aS)-3a,4,4,7a-tetramethyl-3-methylidene-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol

[(2S,3aR,7aS)-3a,4,4,7a-tetramethyl-3-methylidene-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol (PubChem CID 162869125) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is [(2S,3aR,7aS)-3a,4,4,7a-tetramethyl-3-methylidene-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3aR,7aS)-3a,4,4,7a-tetramethyl-3-methylidene-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol
PubChem CID162869125
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name[(2S,3aR,7aS)-3a,4,4,7a-tetramethyl-3-methylidene-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol
SMILESC=C1[C@@H](CO)C[C@]2(C)CCCC(C)(C)[C@@]12C
InChIInChI=1S/C15H26O/c1-11-12(10-16)9-14(4)8-6-7-13(2,3)15(11,14)5/h12,16H,1,6-10H2,2-5H3/t12-,14+,15-/m1/s1
InChIKeyZAJCGIUTBZQWJO-VHDGCEQUSA-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'}

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Related Compounds

Khusimol
CID 167519
(1R,3aS,4S,7aR)-1-((S)-1-hydroxy-2-methylpropyl)-3a-methyl-7-methyleneoctahydro-1H-inden-4-ol
CID 21629614
Oppsit-4(15)-Ene-1Beta,11-Diol
CID 56672124
trans-Dracunculifoliol
CID 6428328
cis-Dracunculifoliol
CID 91749998
(6R)-6-[(1R,3aS,7aR)-7a-methyl-4-methylidene-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol
CID 163646256
4(15)-Oppositene-1,7-diol
CID 11075507
[(2R,3aR,7aR)-3a,4,4,7a-tetramethyl-3-methylidene-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol
CID 14527122
4(15),11-Oppositadien-1-ol
CID 91895408
[(1R,3R)-2,2,3-trimethyl-4-methylidenecyclopentyl]methanol
CID 10920731
[(1S,2R,6R,7R)-2,6-dimethyl-8-methylidene-2-tricyclo[5.2.2.01,6]undecanyl]methanol
CID 15973061
[(1S,2R,4S)-1-ethenyl-2,4-bis(prop-1-en-2-yl)cyclohexyl]methanol
CID 163082506

Frequently Asked Questions

What is the IUPAC name of [(2S,3aR,7aS)-3a,4,4,7a-tetramethyl-3-methylidene-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol?
The IUPAC name of [(2S,3aR,7aS)-3a,4,4,7a-tetramethyl-3-methylidene-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol (CID 162869125) is [(2S,3aR,7aS)-3a,4,4,7a-tetramethyl-3-methylidene-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol.
What is the SMILES notation for [(2S,3aR,7aS)-3a,4,4,7a-tetramethyl-3-methylidene-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol?
The canonical SMILES for [(2S,3aR,7aS)-3a,4,4,7a-tetramethyl-3-methylidene-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol is C=C1[C@@H](CO)C[C@]2(C)CCCC(C)(C)[C@@]12C.
What is the InChIKey of [(2S,3aR,7aS)-3a,4,4,7a-tetramethyl-3-methylidene-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol?
The InChIKey is ZAJCGIUTBZQWJO-VHDGCEQUSA-N. The full InChI is InChI=1S/C15H26O/c1-11-12(10-16)9-14(4)8-6-7-13(2,3)15(11,14)5/h12,16H,1,6-10H2,2-5H3/t12-,14+,15-/m1/s1.
What are the key properties of [(2S,3aR,7aS)-3a,4,4,7a-tetramethyl-3-methylidene-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol?
[(2S,3aR,7aS)-3a,4,4,7a-tetramethyl-3-methylidene-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol 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 [(2S,3aR,7aS)-3a,4,4,7a-tetramethyl-3-methylidene-2,5,6,7-tetrahydro-1H-inden-2-yl]methanol is sourced from PubChem (CID 162869125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).