4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol

C15H26O2 — CID 613194

IUPAC4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
SMILESC=C1CCC(O)C2(C)CCC(C(C)C)C(O)C12
InChIInChI=1S/C15H26O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-14,16-17H,3,5-8H2,1-2,4H3
InChIKeyWKKJGHCXVKEJNU-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.75
Rot. Bonds1

About 4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol

4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol (PubChem CID 613194) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol.

Molecular Properties

Compound Name4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
PubChem CID613194
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
SMILESC=C1CCC(O)C2(C)CCC(C(C)C)C(O)C12
InChIInChI=1S/C15H26O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-14,16-17H,3,5-8H2,1-2,4H3
InChIKeyWKKJGHCXVKEJNU-UHFFFAOYSA-N
XLogP2.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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'}

Analyze 4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol 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

Albicanol
CID 171360
Selin-11-En-4Alpha-Ol
CID 15560330
6-epi-Shyobunol
CID 520758
10-Epijunenol
CID 573015
beta-Costol
CID 12304104
Voleneol
CID 14137570
Larixol
CID 6708759
(8R)-3beta,8-Dihydroxypolypoda-13E,17E,21-triene
CID 57401582
Verticillatol
CID 489946
6-Isopropenyl-4,8a-dimethyldecahydro-1-naphthalenol
CID 494439
2,2,6,8-Tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol
CID 20197108
3beta-7-Drimene-3,11-diol
CID 14433088

Frequently Asked Questions

What is the IUPAC name of 4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol?
The IUPAC name of 4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol (CID 613194) is 4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol.
What is the SMILES notation for 4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol?
The canonical SMILES for 4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol is C=C1CCC(O)C2(C)CCC(C(C)C)C(O)C12.
What is the InChIKey of 4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol?
The InChIKey is WKKJGHCXVKEJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-14,16-17H,3,5-8H2,1-2,4H3.
What are the key properties of 4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol?
4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol has a molecular weight of 238.37 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol is sourced from PubChem (CID 613194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).