1,1-di(cyclohexa-1,5-dien-1-yl)ethanol

C14H18O — CID 171099353

IUPAC1,1-di(cyclohexa-1,5-dien-1-yl)ethanol
SMILESCC(O)(C1=CCCC=C1)C1=CCCC=C1
InChIInChI=1S/C14H18O/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h4,6,8-11,15H,2-3,5,7H2,1H3
InChIKeySYMAJCFIXKGRLQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.29
Rot. Bonds2

About 1,1-di(cyclohexa-1,5-dien-1-yl)ethanol

1,1-di(cyclohexa-1,5-dien-1-yl)ethanol (PubChem CID 171099353) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1,1-di(cyclohexa-1,5-dien-1-yl)ethanol.

Molecular Properties

Compound Name1,1-di(cyclohexa-1,5-dien-1-yl)ethanol
PubChem CID171099353
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1,1-di(cyclohexa-1,5-dien-1-yl)ethanol
SMILESCC(O)(C1=CCCC=C1)C1=CCCC=C1
InChIInChI=1S/C14H18O/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h4,6,8-11,15H,2-3,5,7H2,1H3
InChIKeySYMAJCFIXKGRLQ-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butylcyclohexa-1,3-diene;phosphane
CID 159538716
2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene
CID 22140571
2-[2-(disulfanyl)propan-2-yl]cyclohexa-1,3-diene
CID 144619532
2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2-methylpropanoate
CID 144560855
2-cyclohexa-1,5-dien-1-ylbutan-2-yl acetate
CID 144561266
2-cyclohexa-1,5-dien-1-ylpropan-2-yl 2,2-dichloro-2-hydroxyethanimidate
CID 146492335
1-cyclohexa-1,5-dien-1-yl-2,2-dimethylpropan-1-one
CID 19747828
2-methylcyclohexa-1,3-diene;1,1,1-trifluoroethane
CID 144521653
cyclohexa-1,5-dien-1-ol;ethane
CID 143526477
3-(2-cyclohexa-1,5-dien-1-ylpropan-2-yl)-7,7-dimethylcyclohepta-1,3,5-triene
CID 142915490
1-cyclohexa-1,5-dien-1-yl-3,3-dimethylpentan-2-one
CID 146396401
methane;2-methylcyclohexa-1,3-diene
CID 143188946

Frequently Asked Questions

What is the IUPAC name of 1,1-di(cyclohexa-1,5-dien-1-yl)ethanol?
The IUPAC name of 1,1-di(cyclohexa-1,5-dien-1-yl)ethanol (CID 171099353) is 1,1-di(cyclohexa-1,5-dien-1-yl)ethanol.
What is the SMILES notation for 1,1-di(cyclohexa-1,5-dien-1-yl)ethanol?
The canonical SMILES for 1,1-di(cyclohexa-1,5-dien-1-yl)ethanol is CC(O)(C1=CCCC=C1)C1=CCCC=C1.
What is the InChIKey of 1,1-di(cyclohexa-1,5-dien-1-yl)ethanol?
The InChIKey is SYMAJCFIXKGRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h4,6,8-11,15H,2-3,5,7H2,1H3.
What are the key properties of 1,1-di(cyclohexa-1,5-dien-1-yl)ethanol?
1,1-di(cyclohexa-1,5-dien-1-yl)ethanol has a molecular weight of 202.30 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(cyclohexa-1,5-dien-1-yl)ethanol is sourced from PubChem (CID 171099353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).