1-(5-hydroxy-3-methylpent-1-en-3-yl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

C20H36O2 — CID 162935253

IUPAC1-(5-hydroxy-3-methylpent-1-en-3-yl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
SMILESC=CC(C)(CCO)C1C(C)(O)CCC2C(C)(C)CCCC21C
InChIInChI=1S/C20H36O2/c1-7-18(4,13-14-21)16-19(5)11-8-10-17(2,3)15(19)9-12-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3
InChIKeyOYXOORHSNLBNGT-UHFFFAOYSA-N
MW308.51 g/mol
LogP4.55
Rot. Bonds4

About 1-(5-hydroxy-3-methylpent-1-en-3-yl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

1-(5-hydroxy-3-methylpent-1-en-3-yl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol (PubChem CID 162935253) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-(5-hydroxy-3-methylpent-1-en-3-yl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name1-(5-hydroxy-3-methylpent-1-en-3-yl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
PubChem CID162935253
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name1-(5-hydroxy-3-methylpent-1-en-3-yl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
SMILESC=CC(C)(CCO)C1C(C)(O)CCC2C(C)(C)CCCC21C
InChIInChI=1S/C20H36O2/c1-7-18(4,13-14-21)16-19(5)11-8-10-17(2,3)15(19)9-12-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3
InChIKeyOYXOORHSNLBNGT-UHFFFAOYSA-N
XLogP4.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-hydroxy-3-methylpent-1-en-3-yl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol with MolForge

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Related Compounds

(1S,2S,4aS,8aS)-1-[(2S)-2-hydroxy-2-methylbut-3-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 40557053
2,5,5,8a-tetramethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 14380806
(1R,2R,4aS,8aS)-1-(2-hydroxyethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 11107904
(1R,2S,4aS,8aS)-2,5,5,8a-tetramethyl-1-(3-methylpent-4-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 173182410
2,5,5,8a-tetramethyl-1-(3-methylpent-4-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 14137608
(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-(3-methylpent-4-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 155008016
(2S,4aR,8aR)-2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 91747195
(2S,4aR,8aR)-2,5,5,8a-tetramethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 91753529
(1S,2R,4aR,8aR)-2,5,5,8a-tetramethyl-1-[(2E)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 124561700
(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalene-1-carbaldehyde
CID 11390781
1-ethyl-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 76550157
2,5,5,8a-tetramethyl-1-(2-methylpropyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 162276385

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-3-methylpent-1-en-3-yl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
The IUPAC name of 1-(5-hydroxy-3-methylpent-1-en-3-yl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol (CID 162935253) is 1-(5-hydroxy-3-methylpent-1-en-3-yl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol.
What is the SMILES notation for 1-(5-hydroxy-3-methylpent-1-en-3-yl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
The canonical SMILES for 1-(5-hydroxy-3-methylpent-1-en-3-yl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol is C=CC(C)(CCO)C1C(C)(O)CCC2C(C)(C)CCCC21C.
What is the InChIKey of 1-(5-hydroxy-3-methylpent-1-en-3-yl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
The InChIKey is OYXOORHSNLBNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2/c1-7-18(4,13-14-21)16-19(5)11-8-10-17(2,3)15(19)9-12-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3.
What are the key properties of 1-(5-hydroxy-3-methylpent-1-en-3-yl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
1-(5-hydroxy-3-methylpent-1-en-3-yl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol has a molecular weight of 308.51 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-3-methylpent-1-en-3-yl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 162935253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).