[5,5-dimethyl-2-(2-naphthalen-2-ylethenyl)cyclohexyl]methanol

C21H26O — CID 67672375

IUPAC[5,5-dimethyl-2-(2-naphthalen-2-ylethenyl)cyclohexyl]methanol
SMILESCC1(C)CCC(C=Cc2ccc3ccccc3c2)C(CO)C1
InChIInChI=1S/C21H26O/c1-21(2)12-11-18(20(14-21)15-22)10-8-16-7-9-17-5-3-4-6-19(17)13-16/h3-10,13,18,20,22H,11-12,14-15H2,1-2H3
InChIKeyFIFCVSXLBQNXGR-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.29
Rot. Bonds3

About [5,5-dimethyl-2-(2-naphthalen-2-ylethenyl)cyclohexyl]methanol

[5,5-dimethyl-2-(2-naphthalen-2-ylethenyl)cyclohexyl]methanol (PubChem CID 67672375) has the molecular formula C21H26O and a molecular weight of 294.44 g/mol. Its IUPAC name is [5,5-dimethyl-2-(2-naphthalen-2-ylethenyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[5,5-dimethyl-2-(2-naphthalen-2-ylethenyl)cyclohexyl]methanol
PubChem CID67672375
Molecular FormulaC21H26O
Molecular Weight294.44 g/mol
Exact Mass294.20
IUPAC Name[5,5-dimethyl-2-(2-naphthalen-2-ylethenyl)cyclohexyl]methanol
SMILESCC1(C)CCC(C=Cc2ccc3ccccc3c2)C(CO)C1
InChIInChI=1S/C21H26O/c1-21(2)12-11-18(20(14-21)15-22)10-8-16-7-9-17-5-3-4-6-19(17)13-16/h3-10,13,18,20,22H,11-12,14-15H2,1-2H3
InChIKeyFIFCVSXLBQNXGR-UHFFFAOYSA-N
XLogP5.29
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 ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5,5-dimethyl-2-(2-naphthalen-2-ylethenyl)cyclohexyl]methanol?
The IUPAC name of [5,5-dimethyl-2-(2-naphthalen-2-ylethenyl)cyclohexyl]methanol (CID 67672375) is [5,5-dimethyl-2-(2-naphthalen-2-ylethenyl)cyclohexyl]methanol.
What is the SMILES notation for [5,5-dimethyl-2-(2-naphthalen-2-ylethenyl)cyclohexyl]methanol?
The canonical SMILES for [5,5-dimethyl-2-(2-naphthalen-2-ylethenyl)cyclohexyl]methanol is CC1(C)CCC(C=Cc2ccc3ccccc3c2)C(CO)C1.
What is the InChIKey of [5,5-dimethyl-2-(2-naphthalen-2-ylethenyl)cyclohexyl]methanol?
The InChIKey is FIFCVSXLBQNXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O/c1-21(2)12-11-18(20(14-21)15-22)10-8-16-7-9-17-5-3-4-6-19(17)13-16/h3-10,13,18,20,22H,11-12,14-15H2,1-2H3.
What are the key properties of [5,5-dimethyl-2-(2-naphthalen-2-ylethenyl)cyclohexyl]methanol?
[5,5-dimethyl-2-(2-naphthalen-2-ylethenyl)cyclohexyl]methanol has a molecular weight of 294.44 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-dimethyl-2-(2-naphthalen-2-ylethenyl)cyclohexyl]methanol is sourced from PubChem (CID 67672375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).