[(1S,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol

C15H26O2 — CID 11128359

IUPAC[(1S,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
SMILESCC1(C)CCC[C@]2(C)[C@H](CO)C(CO)=CC[C@@H]12
InChIInChI=1S/C15H26O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,12-13,16-17H,4,6-10H2,1-3H3/t12-,13+,15-/m1/s1
InChIKeyKUTDAKOPPDXZDV-VNHYZAJKSA-N
MW238.37 g/mol
LogP2.75
Rot. Bonds2

About [(1S,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol

[(1S,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol (PubChem CID 11128359) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(1S,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol.

Molecular Properties

Compound Name[(1S,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
PubChem CID11128359
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(1S,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
SMILESCC1(C)CCC[C@]2(C)[C@H](CO)C(CO)=CC[C@@H]12
InChIInChI=1S/C15H26O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,12-13,16-17H,4,6-10H2,1-3H3/t12-,13+,15-/m1/s1
InChIKeyKUTDAKOPPDXZDV-VNHYZAJKSA-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-Nootkatol
CID 182645
(-)-Drimenol
CID 3080551
Artemisinic alcohol
CID 15983960
(3beta,9beta)-7-Drimene-3,11,12-triol
CID 14433069
Agathadiol
CID 15558517
7-Drimene-11,12,14-triol
CID 14433067
3beta-7-Drimene-3,11-diol
CID 14433088
Sagittariol
CID 101603339
alpha-Nootkatol
CID 9815881
Drimendiol
CID 11064467
Ncgc00381166-01_C15H26O3_
CID 75528935
Physacoztomatin
CID 49799161

Frequently Asked Questions

What is the IUPAC name of [(1S,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol?
The IUPAC name of [(1S,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol (CID 11128359) is [(1S,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol.
What is the SMILES notation for [(1S,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol?
The canonical SMILES for [(1S,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol is CC1(C)CCC[C@]2(C)[C@H](CO)C(CO)=CC[C@@H]12.
What is the InChIKey of [(1S,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol?
The InChIKey is KUTDAKOPPDXZDV-VNHYZAJKSA-N. The full InChI is InChI=1S/C15H26O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,12-13,16-17H,4,6-10H2,1-3H3/t12-,13+,15-/m1/s1.
What are the key properties of [(1S,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol?
[(1S,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-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,4aS,8aS)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol is sourced from PubChem (CID 11128359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).