5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol

C20H34O — CID 46224604

IUPAC5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
SMILESC=CC(C)(O)CC[C@@]1(C)[C@@H]2CCCC(C)(C)C2=CC[C@@H]1C
InChIInChI=1S/C20H34O/c1-7-19(5,21)13-14-20(6)15(2)10-11-16-17(20)9-8-12-18(16,3)4/h7,11,15,17,21H,1,8-10,12-14H2,2-6H3/t15-,17+,19?,20+/m0/s1
InChIKeyTXBORCBWDUAHAC-AIQOQHTRSA-N
MW290.49 g/mol
LogP5.50
Rot. Bonds4

About 5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol

5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol (PubChem CID 46224604) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol.

Molecular Properties

Compound Name5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
PubChem CID46224604
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol
SMILESC=CC(C)(O)CC[C@@]1(C)[C@@H]2CCCC(C)(C)C2=CC[C@@H]1C
InChIInChI=1S/C20H34O/c1-7-19(5,21)13-14-20(6)15(2)10-11-16-17(20)9-8-12-18(16,3)4/h7,11,15,17,21H,1,8-10,12-14H2,2-6H3/t15-,17+,19?,20+/m0/s1
InChIKeyTXBORCBWDUAHAC-AIQOQHTRSA-N
XLogP5.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-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

Alpha-eudesmol
CID 92762
Manool
CID 3034394
1,2,3,4,4a,5,6,7-Octahydro-2,5,5-trimethyl-2-naphthalenol
CID 162452
2-Naphthalenemethanol, 1,2,3,4,4a,5,6,8a-octahydro-alpha,alpha,4a,8-tetramethyl-, (2R-(2alpha,4aalpha,8abeta))-
CID 5317269
1-Naphthalenepropanol, alpha-ethenyldecahydro-alpha,5,5,8a-tetramethyl-2-methylene-
CID 238792
Valerianol
CID 9859337
Zingiberenol
CID 13213649
13-Epimanool
CID 10891602
1,2,3,4,6,7,8,8a-Octahydro-alpha,alpha,8,8a-tetramethyl-2-naphthalenemethanol
CID 146808
1,2,3,4,4a,5,6,8a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-naphthalenol
CID 527220
Rosifoliol
CID 527256
7-epi-alpha-Eudesmol
CID 12304196

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol?
The IUPAC name of 5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol (CID 46224604) is 5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol.
What is the SMILES notation for 5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol?
The canonical SMILES for 5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol is C=CC(C)(O)CC[C@@]1(C)[C@@H]2CCCC(C)(C)C2=CC[C@@H]1C.
What is the InChIKey of 5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol?
The InChIKey is TXBORCBWDUAHAC-AIQOQHTRSA-N. The full InChI is InChI=1S/C20H34O/c1-7-19(5,21)13-14-20(6)15(2)10-11-16-17(20)9-8-12-18(16,3)4/h7,11,15,17,21H,1,8-10,12-14H2,2-6H3/t15-,17+,19?,20+/m0/s1.
What are the key properties of 5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol?
5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol has a molecular weight of 290.49 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-ol is sourced from PubChem (CID 46224604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).