2-[2-(2,6-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl)ethyl]-6-methoxyoxan-4-ol

C20H32O3 — CID 57127100

IUPAC2-[2-(2,6-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl)ethyl]-6-methoxyoxan-4-ol
SMILESCOC1CC(O)CC(CCC2=C(C)CCC3CC(C)CC=C23)O1
InChIInChI=1S/C20H32O3/c1-13-4-8-19-15(10-13)6-5-14(2)18(19)9-7-17-11-16(21)12-20(22-3)23-17/h8,13,15-17,20-21H,4-7,9-12H2,1-3H3
InChIKeyDKUCKQVOBXJKJM-UHFFFAOYSA-N
MW320.47 g/mol
LogP4.36
Rot. Bonds4

About 2-[2-(2,6-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl)ethyl]-6-methoxyoxan-4-ol

2-[2-(2,6-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl)ethyl]-6-methoxyoxan-4-ol (PubChem CID 57127100) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 2-[2-(2,6-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl)ethyl]-6-methoxyoxan-4-ol.

Molecular Properties

Compound Name2-[2-(2,6-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl)ethyl]-6-methoxyoxan-4-ol
PubChem CID57127100
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name2-[2-(2,6-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl)ethyl]-6-methoxyoxan-4-ol
SMILESCOC1CC(O)CC(CCC2=C(C)CCC3CC(C)CC=C23)O1
InChIInChI=1S/C20H32O3/c1-13-4-8-19-15(10-13)6-5-14(2)18(19)9-7-17-11-16(21)12-20(22-3)23-17/h8,13,15-17,20-21H,4-7,9-12H2,1-3H3
InChIKeyDKUCKQVOBXJKJM-UHFFFAOYSA-N
XLogP4.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2,6-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl)ethyl]-6-methoxyoxan-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

Lemnabourside
CID 44423937
Rottnestol
CID 10472966
raspailol A
CID 9999496
raspailol B
CID 10385633
Muamvatin
CID 162972410
(1S,3S,6R,7R,8S,9R)-3-[(2R,6R)-6-[(1S,4aS,8aR)-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-1-yl]heptan-2-yl]-2,4,10-trioxabicyclo[4.3.1]decane-7,8,9-triol
CID 162978155
(2R,3R,4S,5R)-2-[(2R)-2-methyl-5-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]pentoxy]oxane-3,4,5-triol
CID 162974221
(1S,3S,6R,7S,8S,9R)-3-[(2R,6R)-6-[(1S,4aS,8aR)-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-1-yl]heptan-2-yl]-2,4,10-trioxabicyclo[4.3.1]decane-7,8,9-triol
CID 162978154
6-(6,8-Dimethyl-2,4,8,12-tridecatetraenyl)tetrahydro-2,3-dimethyl-2h-pyran-2,4-diol
CID 73835930
p-menth-ene-2,10-diol 2-O-beta-d-glucopyranoside
CID 129847856
[(1S,7S,8S,8aR)-8-[2-[(2R,4R,6S)-6-ethoxy-4-hydroxyoxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
CID 134835162
(2R,6S)-6-[(2E,4E,6S,8E)-6,8-dimethyltrideca-2,4,8,12-tetraenyl]-2,3-dimethyloxane-2,4-diol
CID 134950910

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl)ethyl]-6-methoxyoxan-4-ol?
The IUPAC name of 2-[2-(2,6-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl)ethyl]-6-methoxyoxan-4-ol (CID 57127100) is 2-[2-(2,6-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl)ethyl]-6-methoxyoxan-4-ol.
What is the SMILES notation for 2-[2-(2,6-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl)ethyl]-6-methoxyoxan-4-ol?
The canonical SMILES for 2-[2-(2,6-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl)ethyl]-6-methoxyoxan-4-ol is COC1CC(O)CC(CCC2=C(C)CCC3CC(C)CC=C23)O1.
What is the InChIKey of 2-[2-(2,6-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl)ethyl]-6-methoxyoxan-4-ol?
The InChIKey is DKUCKQVOBXJKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3/c1-13-4-8-19-15(10-13)6-5-14(2)18(19)9-7-17-11-16(21)12-20(22-3)23-17/h8,13,15-17,20-21H,4-7,9-12H2,1-3H3.
What are the key properties of 2-[2-(2,6-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl)ethyl]-6-methoxyoxan-4-ol?
2-[2-(2,6-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl)ethyl]-6-methoxyoxan-4-ol has a molecular weight of 320.47 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-1-yl)ethyl]-6-methoxyoxan-4-ol is sourced from PubChem (CID 57127100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).