(2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-ol

C15H24O — CID 15699930

IUPAC(2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-ol
SMILESC=CC1=CCCC2C(C)(C)[C@@H](O)CC[C@]12C
InChIInChI=1S/C15H24O/c1-5-11-7-6-8-12-14(2,3)13(16)9-10-15(11,12)4/h5,7,12-13,16H,1,6,8-10H2,2-4H3/t12?,13-,15+/m0/s1
InChIKeyIZNQWPULXRLKEU-RGPPAHDHSA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds1

About (2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-ol

(2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-ol (PubChem CID 15699930) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-ol
PubChem CID15699930
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-ol
SMILESC=CC1=CCCC2C(C)(C)[C@@H](O)CC[C@]12C
InChIInChI=1S/C15H24O/c1-5-11-7-6-8-12-14(2,3)13(16)9-10-15(11,12)4/h5,7,12-13,16H,1,6,8-10H2,2-4H3/t12?,13-,15+/m0/s1
InChIKeyIZNQWPULXRLKEU-RGPPAHDHSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-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

(4aS)-1,1,4a-trimethyl-8a-propan-2-yl-3,4,6,7,8,9,10,10a-octahydro-2H-phenanthren-2-ol
CID 163866548
7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthrene-2,9-diol
CID 72820382
(2R,4aS,4bR,8S,8aR)-7-ethenyl-1,1,4a,8-tetramethyl-2,3,4,4b,5,8,8a,9,10,10a-decahydrophenanthren-2-ol
CID 90659291
(1S)-3-ethenyl-4,4-dimethylcyclohex-2-en-1-ol
CID 101264414
(2S,4aS,10aR)-1,1,4a,7-tetramethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol
CID 135067648
(2R,4aS,4bR,6S,7S,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-2,6-diol
CID 162934254
(2S,4aS,4bR,7R,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-2,4b-diol
CID 163010945
(3R,3aR,5aR,5bS,7aR,9S,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
CID 162945646
(3S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 157009909
3-ethyl-2,2,4,4-tetramethylcyclohexan-1-ol
CID 142000591
(2S,4aS,5R,8aR)-5-(hydroxymethyl)-1,1,4a,6-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-2-ol
CID 135066668
1,1,4a-trimethyl-6-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,7-diol
CID 163002569

Frequently Asked Questions

What is the IUPAC name of (2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-ol?
The IUPAC name of (2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-ol (CID 15699930) is (2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-ol.
What is the SMILES notation for (2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-ol?
The canonical SMILES for (2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-ol is C=CC1=CCCC2C(C)(C)[C@@H](O)CC[C@]12C.
What is the InChIKey of (2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-ol?
The InChIKey is IZNQWPULXRLKEU-RGPPAHDHSA-N. The full InChI is InChI=1S/C15H24O/c1-5-11-7-6-8-12-14(2,3)13(16)9-10-15(11,12)4/h5,7,12-13,16H,1,6,8-10H2,2-4H3/t12?,13-,15+/m0/s1.
What are the key properties of (2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-ol?
(2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aS)-5-ethenyl-1,1,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-2-ol is sourced from PubChem (CID 15699930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).