1-(5,5-dimethyl-2-naphthalen-2-ylcyclohexyl)prop-2-en-1-ol

C21H26O — CID 67672374

IUPAC1-(5,5-dimethyl-2-naphthalen-2-ylcyclohexyl)prop-2-en-1-ol
SMILESC=CC(O)C1CC(C)(C)CCC1c1ccc2ccccc2c1
InChIInChI=1S/C21H26O/c1-4-20(22)19-14-21(2,3)12-11-18(19)17-10-9-15-7-5-6-8-16(15)13-17/h4-10,13,18-20,22H,1,11-12,14H2,2-3H3
InChIKeyJIJQZGPBDJABDU-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.30
Rot. Bonds3

About 1-(5,5-dimethyl-2-naphthalen-2-ylcyclohexyl)prop-2-en-1-ol

1-(5,5-dimethyl-2-naphthalen-2-ylcyclohexyl)prop-2-en-1-ol (PubChem CID 67672374) has the molecular formula C21H26O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(5,5-dimethyl-2-naphthalen-2-ylcyclohexyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(5,5-dimethyl-2-naphthalen-2-ylcyclohexyl)prop-2-en-1-ol
PubChem CID67672374
Molecular FormulaC21H26O
Molecular Weight294.44 g/mol
Exact Mass294.20
IUPAC Name1-(5,5-dimethyl-2-naphthalen-2-ylcyclohexyl)prop-2-en-1-ol
SMILESC=CC(O)C1CC(C)(C)CCC1c1ccc2ccccc2c1
InChIInChI=1S/C21H26O/c1-4-20(22)19-14-21(2,3)12-11-18(19)17-10-9-15-7-5-6-8-16(15)13-17/h4-10,13,18-20,22H,1,11-12,14H2,2-3H3
InChIKeyJIJQZGPBDJABDU-UHFFFAOYSA-N
XLogP5.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-2-naphthalen-2-ylcyclohexyl)prop-2-en-1-ol?
The IUPAC name of 1-(5,5-dimethyl-2-naphthalen-2-ylcyclohexyl)prop-2-en-1-ol (CID 67672374) is 1-(5,5-dimethyl-2-naphthalen-2-ylcyclohexyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(5,5-dimethyl-2-naphthalen-2-ylcyclohexyl)prop-2-en-1-ol?
The canonical SMILES for 1-(5,5-dimethyl-2-naphthalen-2-ylcyclohexyl)prop-2-en-1-ol is C=CC(O)C1CC(C)(C)CCC1c1ccc2ccccc2c1.
What is the InChIKey of 1-(5,5-dimethyl-2-naphthalen-2-ylcyclohexyl)prop-2-en-1-ol?
The InChIKey is JIJQZGPBDJABDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O/c1-4-20(22)19-14-21(2,3)12-11-18(19)17-10-9-15-7-5-6-8-16(15)13-17/h4-10,13,18-20,22H,1,11-12,14H2,2-3H3.
What are the key properties of 1-(5,5-dimethyl-2-naphthalen-2-ylcyclohexyl)prop-2-en-1-ol?
1-(5,5-dimethyl-2-naphthalen-2-ylcyclohexyl)prop-2-en-1-ol has a molecular weight of 294.44 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-2-naphthalen-2-ylcyclohexyl)prop-2-en-1-ol is sourced from PubChem (CID 67672374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).