(3S,3aR,4R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulen-4-ol

C15H26O — CID 10421115

IUPAC(3S,3aR,4R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulen-4-ol
SMILESC=C1CCC[C@@]2(C)CC[C@@H](C(C)C)[C@H]2[C@H]1O
InChIInChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-11(3)14(16)13(12)15/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13-,14-,15-/m0/s1
InChIKeyWILHOAUMXSHURF-AJNGGQMLSA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds1

About (3S,3aR,4R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulen-4-ol

(3S,3aR,4R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulen-4-ol (PubChem CID 10421115) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (3S,3aR,4R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulen-4-ol.

Molecular Properties

Compound Name(3S,3aR,4R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulen-4-ol
PubChem CID10421115
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(3S,3aR,4R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulen-4-ol
SMILESC=C1CCC[C@@]2(C)CC[C@@H](C(C)C)[C@H]2[C@H]1O
InChIInChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-11(3)14(16)13(12)15/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13-,14-,15-/m0/s1
InChIKeyWILHOAUMXSHURF-AJNGGQMLSA-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 (3S,3aR,4R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cedrenol
CID 119831
Cedr-8(15)-en-9-alpha-ol
CID 6428415
(2aS,4R,5aR,8S,8aR,8bS)-2,8-dimethyl-5-methylidene-3,4,5a,6,7,8,8a,8b-octahydro-2aH-cyclobuta[e]azulen-4-ol
CID 21579285
(1R,3aR,5S,8S,8aS)-3a-methyl-6-methylidene-1-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-azulene-1,5,8-triol
CID 14681670
(3R,3aS,4R,8S,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-4,8-diol
CID 46849805
(3R,3aR,4S,8R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-4,8-diol
CID 163017366
Cedr-8(15)-en-9-ol
CID 21119906
Trichocarotin H
CID 148214470
(3aR,4S,5S,8aR)-5-(3-hydroxyprop-1-en-2-yl)-3,8-dimethylidene-1,2,3a,4,5,6,7,8a-octahydroazulen-4-ol
CID 10633479
(1R,4R,5R,9R)-1-methyl-8-methylidene-4-propan-2-ylspiro[4.5]decan-9-ol
CID 145953166
alpha-Cedr-8(15)ene-9-ol
CID 6430532
3a-methyl-6-methylidene-1-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-azulene-1,5,8-triol
CID 14681669

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,4R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulen-4-ol?
The IUPAC name of (3S,3aR,4R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulen-4-ol (CID 10421115) is (3S,3aR,4R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulen-4-ol.
What is the SMILES notation for (3S,3aR,4R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulen-4-ol?
The canonical SMILES for (3S,3aR,4R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulen-4-ol is C=C1CCC[C@@]2(C)CC[C@@H](C(C)C)[C@H]2[C@H]1O.
What is the InChIKey of (3S,3aR,4R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulen-4-ol?
The InChIKey is WILHOAUMXSHURF-AJNGGQMLSA-N. The full InChI is InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-11(3)14(16)13(12)15/h10,12-14,16H,3,5-9H2,1-2,4H3/t12-,13-,14-,15-/m0/s1.
What are the key properties of (3S,3aR,4R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulen-4-ol?
(3S,3aR,4R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulen-4-ol 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 (3S,3aR,4R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulen-4-ol is sourced from PubChem (CID 10421115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).