[(2S,3aR,7aS)-3,3,3a,4,7a-pentamethyl-1,2,6,7-tetrahydroinden-2-yl]methanol

C15H26O — CID 135040720

IUPAC[(2S,3aR,7aS)-3,3,3a,4,7a-pentamethyl-1,2,6,7-tetrahydroinden-2-yl]methanol
SMILESCC1=CCC[C@@]2(C)C[C@H](CO)C(C)(C)[C@@]12C
InChIInChI=1S/C15H26O/c1-11-7-6-8-14(4)9-12(10-16)13(2,3)15(11,14)5/h7,12,16H,6,8-10H2,1-5H3/t12-,14+,15-/m1/s1
InChIKeySLMBSGIDLMLPQD-VHDGCEQUSA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds1

About [(2S,3aR,7aS)-3,3,3a,4,7a-pentamethyl-1,2,6,7-tetrahydroinden-2-yl]methanol

[(2S,3aR,7aS)-3,3,3a,4,7a-pentamethyl-1,2,6,7-tetrahydroinden-2-yl]methanol (PubChem CID 135040720) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is [(2S,3aR,7aS)-3,3,3a,4,7a-pentamethyl-1,2,6,7-tetrahydroinden-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3aR,7aS)-3,3,3a,4,7a-pentamethyl-1,2,6,7-tetrahydroinden-2-yl]methanol
PubChem CID135040720
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name[(2S,3aR,7aS)-3,3,3a,4,7a-pentamethyl-1,2,6,7-tetrahydroinden-2-yl]methanol
SMILESCC1=CCC[C@@]2(C)C[C@H](CO)C(C)(C)[C@@]12C
InChIInChI=1S/C15H26O/c1-11-7-6-8-14(4)9-12(10-16)13(2,3)15(11,14)5/h7,12,16H,6,8-10H2,1-5H3/t12-,14+,15-/m1/s1
InChIKeySLMBSGIDLMLPQD-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'}

Analyze [(2S,3aR,7aS)-3,3,3a,4,7a-pentamethyl-1,2,6,7-tetrahydroinden-2-yl]methanol with MolForge

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Related Compounds

Nopol
CID 31408
Sandalore
CID 103212
1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol
CID 66963592
Nopol, (+-)-
CID 1272250
Methylcyclohexenyl butanol
CID 85903
3-Cyclopentene-1-butanol, beta,2,2,3-tetramethyl-
CID 166220
Vetivenol
CID 3085365
Bicyclo[4.1.0]hept-4-ene-3-methanol, 4,7,7-trimethyl-
CID 85800
4,4-Di(hydroxymethyl)bicyclo(2.2.1)heptene
CID 110917
2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl-
CID 166894
(-)-alpha-Acorenol
CID 101306697
(+)-3-Gymnomitren-15-ol
CID 91752517

Frequently Asked Questions

What is the IUPAC name of [(2S,3aR,7aS)-3,3,3a,4,7a-pentamethyl-1,2,6,7-tetrahydroinden-2-yl]methanol?
The IUPAC name of [(2S,3aR,7aS)-3,3,3a,4,7a-pentamethyl-1,2,6,7-tetrahydroinden-2-yl]methanol (CID 135040720) is [(2S,3aR,7aS)-3,3,3a,4,7a-pentamethyl-1,2,6,7-tetrahydroinden-2-yl]methanol.
What is the SMILES notation for [(2S,3aR,7aS)-3,3,3a,4,7a-pentamethyl-1,2,6,7-tetrahydroinden-2-yl]methanol?
The canonical SMILES for [(2S,3aR,7aS)-3,3,3a,4,7a-pentamethyl-1,2,6,7-tetrahydroinden-2-yl]methanol is CC1=CCC[C@@]2(C)C[C@H](CO)C(C)(C)[C@@]12C.
What is the InChIKey of [(2S,3aR,7aS)-3,3,3a,4,7a-pentamethyl-1,2,6,7-tetrahydroinden-2-yl]methanol?
The InChIKey is SLMBSGIDLMLPQD-VHDGCEQUSA-N. The full InChI is InChI=1S/C15H26O/c1-11-7-6-8-14(4)9-12(10-16)13(2,3)15(11,14)5/h7,12,16H,6,8-10H2,1-5H3/t12-,14+,15-/m1/s1.
What are the key properties of [(2S,3aR,7aS)-3,3,3a,4,7a-pentamethyl-1,2,6,7-tetrahydroinden-2-yl]methanol?
[(2S,3aR,7aS)-3,3,3a,4,7a-pentamethyl-1,2,6,7-tetrahydroinden-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)-3,3,3a,4,7a-pentamethyl-1,2,6,7-tetrahydroinden-2-yl]methanol is sourced from PubChem (CID 135040720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).