[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol

C15H26O — CID 11379069

IUPAC[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
SMILESC=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CO
InChIInChI=1S/C15H26O/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-16/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,15+/m1/s1
InChIKeyZPTSRWNMMWXEHX-NFAWXSAZSA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds1

About [(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol

[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol (PubChem CID 11379069) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is [(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
PubChem CID11379069
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
SMILESC=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CO
InChIInChI=1S/C15H26O/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-16/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,15+/m1/s1
InChIKeyZPTSRWNMMWXEHX-NFAWXSAZSA-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 [(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol with MolForge

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Related Compounds

Beta-Eudesmol
CID 91457
(1R,4aR,4bS,10aR)-1,2,3,4,4a,4b,5,6,7,9,10,10a-Dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenemethanol
CID 21117614
Albicanol
CID 171360
Zingiberol
CID 5317270
(-)-Drimenol
CID 3080551
Selin-11-En-4Alpha-Ol
CID 15560330
Cyclohexanepropanol, alpha,2,2-trimethyl-6-methylene-
CID 114559
10-Epijunenol
CID 573015
beta-Costol
CID 12304104
Voleneol
CID 14137570
6-Isopropenyl-4,8a-dimethyldecahydro-1-naphthalenol
CID 494439
Isointermedeol
CID 527217

Frequently Asked Questions

What is the IUPAC name of [(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol?
The IUPAC name of [(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol (CID 11379069) is [(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol.
What is the SMILES notation for [(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol?
The canonical SMILES for [(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol is C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CO.
What is the InChIKey of [(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol?
The InChIKey is ZPTSRWNMMWXEHX-NFAWXSAZSA-N. The full InChI is InChI=1S/C15H26O/c1-11-6-7-13-14(2,3)8-5-9-15(13,4)12(11)10-16/h12-13,16H,1,5-10H2,2-4H3/t12-,13-,15+/m1/s1.
What are the key properties of [(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol?
[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-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 [(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol is sourced from PubChem (CID 11379069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).