1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol

C14H26O — CID 19985530

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CC1CCC2CCCCC2C1
InChIInChI=1S/C14H26O/c1-14(2,15)10-11-7-8-12-5-3-4-6-13(12)9-11/h11-13,15H,3-10H2,1-2H3
InChIKeyFRGFHMQXHLURDS-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.75
Rot. Bonds2

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol (PubChem CID 19985530) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol
PubChem CID19985530
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CC1CCC2CCCCC2C1
InChIInChI=1S/C14H26O/c1-14(2,15)10-11-7-8-12-5-3-4-6-13(12)9-11/h11-13,15H,3-10H2,1-2H3
InChIKeyFRGFHMQXHLURDS-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-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

Geosmin
CID 29746
p-MENTHAN-8-OL
CID 10353
Octahydro-4,8a-dimethyl-4a(2H)-naphthol
CID 1213
7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 4655876
2-Naphthalenol, decahydro-6-(1-methylethyl)-
CID 94453
(+)-Geosmin
CID 15559490
Cryptomeridiol
CID 165258
(1R,4aR,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 52940854
7-Epi-ent-eudesmane-5,11-diol
CID 10955696
(1S,4aR,7R,8aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-decalin-1-ol
CID 11184061
9-Ethylbicyclo(3.3.1)nonan-9-ol
CID 89551
trans-9-Decalol
CID 137141

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol (CID 19985530) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol is CC(C)(O)CC1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol?
The InChIKey is FRGFHMQXHLURDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-14(2,15)10-11-7-8-12-5-3-4-6-13(12)9-11/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol has a molecular weight of 210.36 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 19985530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).