(1S,7S,8S,8aS)-8-ethyl-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol

C14H26O — CID 59100166

IUPAC(1S,7S,8S,8aS)-8-ethyl-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
SMILESCC[C@@H]1[C@@H]2C(CC[C@@H]1C)CC(C)C[C@@H]2O
InChIInChI=1S/C14H26O/c1-4-12-10(3)5-6-11-7-9(2)8-13(15)14(11)12/h9-15H,4-8H2,1-3H3/t9?,10-,11?,12-,13-,14-/m0/s1
InChIKeyNWTXNTSTVPCOLY-LNQOSFKHSA-N
MW210.36 g/mol
LogP3.47
Rot. Bonds1

About (1S,7S,8S,8aS)-8-ethyl-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol

(1S,7S,8S,8aS)-8-ethyl-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol (PubChem CID 59100166) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (1S,7S,8S,8aS)-8-ethyl-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,7S,8S,8aS)-8-ethyl-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
PubChem CID59100166
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(1S,7S,8S,8aS)-8-ethyl-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
SMILESCC[C@@H]1[C@@H]2C(CC[C@@H]1C)CC(C)C[C@@H]2O
InChIInChI=1S/C14H26O/c1-4-12-10(3)5-6-11-7-9(2)8-13(15)14(11)12/h9-15H,4-8H2,1-3H3/t9?,10-,11?,12-,13-,14-/m0/s1
InChIKeyNWTXNTSTVPCOLY-LNQOSFKHSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,7S,8S,8aS)-8-ethyl-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-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

2,5-dimethylcyclohexan-1-ol;propane
CID 142087287
trans-(2R,5R)-5-(4-ethylcyclohexyl)-2-methylcyclohexan-1-ol
CID 59055193
(1S,7S,8S)-8-ethyl-3,4,5,7-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 71133313
(4R,6R)-6-[2-[(1S,2S,6S,8S,8aS)-8-hydroxy-2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 13298852
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
cis-(2R,3S)-2-ethyl-3-methylcyclopentan-1-amine
CID 163832178
potassium 2,5-dimethylcyclohexan-1-ol
CID 18764424
lithium 2,5-dimethylcyclohexan-1-ol
CID 18764144
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
CID 144532112
1,5-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 54398064
(1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol
CID 118263170
3-ethyl-5-methylcyclohexane-1,2-diol
CID 118343814

Frequently Asked Questions

What is the IUPAC name of (1S,7S,8S,8aS)-8-ethyl-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The IUPAC name of (1S,7S,8S,8aS)-8-ethyl-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol (CID 59100166) is (1S,7S,8S,8aS)-8-ethyl-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol.
What is the SMILES notation for (1S,7S,8S,8aS)-8-ethyl-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The canonical SMILES for (1S,7S,8S,8aS)-8-ethyl-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol is CC[C@@H]1[C@@H]2C(CC[C@@H]1C)CC(C)C[C@@H]2O.
What is the InChIKey of (1S,7S,8S,8aS)-8-ethyl-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
The InChIKey is NWTXNTSTVPCOLY-LNQOSFKHSA-N. The full InChI is InChI=1S/C14H26O/c1-4-12-10(3)5-6-11-7-9(2)8-13(15)14(11)12/h9-15H,4-8H2,1-3H3/t9?,10-,11?,12-,13-,14-/m0/s1.
What are the key properties of (1S,7S,8S,8aS)-8-ethyl-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol?
(1S,7S,8S,8aS)-8-ethyl-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol has a molecular weight of 210.36 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7S,8S,8aS)-8-ethyl-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol is sourced from PubChem (CID 59100166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).