1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(oxan-4-yl)ethanol

C17H30O2 — CID 115789574

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(oxan-4-yl)ethanol
SMILESOC(CC1CCOCC1)C1CCC2CCCCC2C1
InChIInChI=1S/C17H30O2/c18-17(11-13-7-9-19-10-8-13)16-6-5-14-3-1-2-4-15(14)12-16/h13-18H,1-12H2
InChIKeyWRTAKQYHNRJEAY-UHFFFAOYSA-N
MW266.42 g/mol
LogP3.77
Rot. Bonds3

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

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(oxan-4-yl)ethanol (PubChem CID 115789574) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(oxan-4-yl)ethanol
PubChem CID115789574
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(oxan-4-yl)ethanol
SMILESOC(CC1CCOCC1)C1CCC2CCCCC2C1
InChIInChI=1S/C17H30O2/c18-17(11-13-7-9-19-10-8-13)16-6-5-14-3-1-2-4-15(14)12-16/h13-18H,1-12H2
InChIKeyWRTAKQYHNRJEAY-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(4aS,10bS)-3-propyl-1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydrobenzo[f]chromene-4a,7-diol
CID 68146663
(6S)-6-[2-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)ethyl]oxan-2-ol
CID 68333320
(2R)-6-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-ylmethoxy)octan-2-ol
CID 68333324
(2R)-6-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-ylmethoxy)heptan-2-ol
CID 68333406
3-[(1R)-7-methyl-8a-propan-2-yloxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]propan-1-ol
CID 70887607
1-[2-(1,2,3,4,4a,5,6,7,8,8a-Decahydronaphthalen-2-yl)-6-ethyl-1,3-dioxan-4-yl]propan-2-ol
CID 90777022
5-[[(4R)-4-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl]methoxy]cyclooctan-1-ol
CID 117811227
(2R)-6-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-ylmethoxy)hexan-2-ol
CID 117811284
8-Methoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-1,9-diol
CID 121400218
5-[(1S)-1-methoxybutyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 122448203
1,8-Dimethoxy-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-ol
CID 122546349
7-Hexoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 140005767

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(oxan-4-yl)ethanol?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(oxan-4-yl)ethanol (CID 115789574) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(oxan-4-yl)ethanol.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(oxan-4-yl)ethanol?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(oxan-4-yl)ethanol is OC(CC1CCOCC1)C1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(oxan-4-yl)ethanol?
The InChIKey is WRTAKQYHNRJEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c18-17(11-13-7-9-19-10-8-13)16-6-5-14-3-1-2-4-15(14)12-16/h13-18H,1-12H2.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(oxan-4-yl)ethanol?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(oxan-4-yl)ethanol has a molecular weight of 266.42 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 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-(oxan-4-yl)ethanol is sourced from PubChem (CID 115789574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).