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

C15H26O2 — CID 10376938

IUPAC[(4S,5S,8S,8aS)-4-(hydroxymethyl)-2,2,8-trimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methanol
SMILESC[C@H]1CC[C@H](CO)[C@H](CO)C2=CC(C)(C)C[C@H]21
InChIInChI=1S/C15H26O2/c1-10-4-5-11(8-16)14(9-17)13-7-15(2,3)6-12(10)13/h7,10-12,14,16-17H,4-6,8-9H2,1-3H3/t10-,11+,12-,14-/m0/s1
InChIKeyOCZFSWYTAUQJDV-OPDFLTKYSA-N
MW238.37 g/mol
LogP2.61
Rot. Bonds2

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

[(4S,5S,8S,8aS)-4-(hydroxymethyl)-2,2,8-trimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methanol (PubChem CID 10376938) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is [(4S,5S,8S,8aS)-4-(hydroxymethyl)-2,2,8-trimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methanol.

Molecular Properties

Compound Name[(4S,5S,8S,8aS)-4-(hydroxymethyl)-2,2,8-trimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methanol
PubChem CID10376938
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name[(4S,5S,8S,8aS)-4-(hydroxymethyl)-2,2,8-trimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methanol
SMILESC[C@H]1CC[C@H](CO)[C@H](CO)C2=CC(C)(C)C[C@H]21
InChIInChI=1S/C15H26O2/c1-10-4-5-11(8-16)14(9-17)13-7-15(2,3)6-12(10)13/h7,10-12,14,16-17H,4-6,8-9H2,1-3H3/t10-,11+,12-,14-/m0/s1
InChIKeyOCZFSWYTAUQJDV-OPDFLTKYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(4S,5S,8S,8aS)-4-(hydroxymethyl)-2,2,8-trimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methanol with MolForge

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Related Compounds

Sandalore
CID 103212
3-Cyclopentene-1-butanol, beta,2,2,3-tetramethyl-
CID 166220
Pachydictyol A
CID 122837
Bicyclo[4.1.0]hept-4-ene-3-methanol, 4,7,7-trimethyl-
CID 85800
Ncgc00381166-01_C15H26O3_
CID 75528935
(3aS,4R,5S,8S,8aR)-3,8-dimethyl-5-[(2R)-6-methylhept-5-en-2-yl]-3a,4,5,6,7,8a-hexahydro-1H-azulene-4,8-diol
CID 14164270
2-[(8R,8aR)-8,8a-dimethyl-4,6,7,8-tetrahydro-3H-naphthalen-2-yl]propan-1-ol
CID 91748873
3-Cyclopentene-1-butanol, beta,2,2,3-tetramethyl-delta-methylene-
CID 16063533
8Beta-Hydroxypachydictyol A
CID 53325968
(-)-(2S,3S,6S,7S,9R)-Tremul-1(10)-Ene-11,12,14-Triol
CID 46872469
(-)-(2S,3S,6S,7S,9S)-Tremul-1(10)-Ene-11,12,15-Triol
CID 46872579
Dictyol E
CID 3085254

Frequently Asked Questions

What is the IUPAC name of [(4S,5S,8S,8aS)-4-(hydroxymethyl)-2,2,8-trimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methanol?
The IUPAC name of [(4S,5S,8S,8aS)-4-(hydroxymethyl)-2,2,8-trimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methanol (CID 10376938) is [(4S,5S,8S,8aS)-4-(hydroxymethyl)-2,2,8-trimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methanol.
What is the SMILES notation for [(4S,5S,8S,8aS)-4-(hydroxymethyl)-2,2,8-trimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methanol?
The canonical SMILES for [(4S,5S,8S,8aS)-4-(hydroxymethyl)-2,2,8-trimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methanol is C[C@H]1CC[C@H](CO)[C@H](CO)C2=CC(C)(C)C[C@H]21.
What is the InChIKey of [(4S,5S,8S,8aS)-4-(hydroxymethyl)-2,2,8-trimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methanol?
The InChIKey is OCZFSWYTAUQJDV-OPDFLTKYSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-4-5-11(8-16)14(9-17)13-7-15(2,3)6-12(10)13/h7,10-12,14,16-17H,4-6,8-9H2,1-3H3/t10-,11+,12-,14-/m0/s1.
What are the key properties of [(4S,5S,8S,8aS)-4-(hydroxymethyl)-2,2,8-trimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methanol?
[(4S,5S,8S,8aS)-4-(hydroxymethyl)-2,2,8-trimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methanol has a molecular weight of 238.37 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S,8S,8aS)-4-(hydroxymethyl)-2,2,8-trimethyl-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]methanol is sourced from PubChem (CID 10376938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).