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

C15H26O2 — CID 162932458

IUPAC[(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
SMILESC=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CO
InChIInChI=1S/C15H26O2/c1-11-5-6-13-14(2,10-17)7-4-8-15(13,3)12(11)9-16/h12-13,16-17H,1,4-10H2,2-3H3/t12-,13-,14-,15+/m0/s1
InChIKeyRIYUSAKJWZXQID-ZQDZILKHSA-N
MW238.37 g/mol
LogP2.75
Rot. Bonds2

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

[(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol (PubChem CID 162932458) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
PubChem CID162932458
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol
SMILESC=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CO
InChIInChI=1S/C15H26O2/c1-11-5-6-13-14(2,10-17)7-4-8-15(13,3)12(11)9-16/h12-13,16-17H,1,4-10H2,2-3H3/t12-,13-,14-,15+/m0/s1
InChIKeyRIYUSAKJWZXQID-ZQDZILKHSA-N
XLogP2.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
10-Epijunenol
CID 573015
beta-Costol
CID 12304104
Voleneol
CID 14137570
Epi(13)torulosol
CID 6708597
6-Isopropenyl-4,8a-dimethyldecahydro-1-naphthalenol
CID 494439
7-Hydroxycostol
CID 14165818
1-Phenanthrenemethanol, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-
CID 101602

Frequently Asked Questions

What is the IUPAC name of [(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol?
The IUPAC name of [(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol (CID 162932458) is [(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol.
What is the SMILES notation for [(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol?
The canonical SMILES for [(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol is C=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CO.
What is the InChIKey of [(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol?
The InChIKey is RIYUSAKJWZXQID-ZQDZILKHSA-N. The full InChI is InChI=1S/C15H26O2/c1-11-5-6-13-14(2,10-17)7-4-8-15(13,3)12(11)9-16/h12-13,16-17H,1,4-10H2,2-3H3/t12-,13-,14-,15+/m0/s1.
What are the key properties of [(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol?
[(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol has a molecular weight of 238.37 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol is sourced from PubChem (CID 162932458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).