3,3-di(cyclopenta-1,4-dien-1-yl)butan-1-ol

C14H18O — CID 87993482

IUPAC3,3-di(cyclopenta-1,4-dien-1-yl)butan-1-ol
SMILESCC(CCO)(C1=CCC=C1)C1=CCC=C1
InChIInChI=1S/C14H18O/c1-14(10-11-15,12-6-2-3-7-12)13-8-4-5-9-13/h2,4,6-9,15H,3,5,10-11H2,1H3
InChIKeyMRYDHKAPVCBCMS-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.15
Rot. Bonds4

About 3,3-di(cyclopenta-1,4-dien-1-yl)butan-1-ol

3,3-di(cyclopenta-1,4-dien-1-yl)butan-1-ol (PubChem CID 87993482) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3,3-di(cyclopenta-1,4-dien-1-yl)butan-1-ol.

Molecular Properties

Compound Name3,3-di(cyclopenta-1,4-dien-1-yl)butan-1-ol
PubChem CID87993482
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name3,3-di(cyclopenta-1,4-dien-1-yl)butan-1-ol
SMILESCC(CCO)(C1=CCC=C1)C1=CCC=C1
InChIInChI=1S/C14H18O/c1-14(10-11-15,12-6-2-3-7-12)13-8-4-5-9-13/h2,4,6-9,15H,3,5,10-11H2,1H3
InChIKeyMRYDHKAPVCBCMS-UHFFFAOYSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopenta-1,4-dien-1-ylpropane-2-thiol
CID 174414235
5-cyclopenta-1,4-dien-1-yl-5-methylhexan-3-one
CID 101438715
2-(2-cyclopenta-1,4-dien-1-ylbutan-2-yl)thiophene
CID 139240478
(1-cyclopenta-1,4-dien-1-yl-1-phenylpropyl)benzene
CID 87377152
2-(3-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)cyclopenta-1,3-diene
CID 87447368
2-(3-ethylhex-5-en-3-yl)cyclopenta-1,3-diene
CID 137052048
[2-amino-2-[6-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]propyl] carbamate
CID 91413440
(3-cyclopenta-1,4-dien-1-yl-3-methyl-2-silyloxybutan-2-yl)-dimethylsilane
CID 173207972
2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium
CID 175034285
2-(2-cyclopenta-1,4-dien-1-ylcyclopenta-1,4-dien-1-yl)ethanol
CID 23303841
1,1-di(cyclohexa-1,5-dien-1-yl)ethanol
CID 171099353
2-cyclohepta-1,4,6-trien-1-yl-2-phenylpropanoic acid
CID 142840576

Frequently Asked Questions

What is the IUPAC name of 3,3-di(cyclopenta-1,4-dien-1-yl)butan-1-ol?
The IUPAC name of 3,3-di(cyclopenta-1,4-dien-1-yl)butan-1-ol (CID 87993482) is 3,3-di(cyclopenta-1,4-dien-1-yl)butan-1-ol.
What is the SMILES notation for 3,3-di(cyclopenta-1,4-dien-1-yl)butan-1-ol?
The canonical SMILES for 3,3-di(cyclopenta-1,4-dien-1-yl)butan-1-ol is CC(CCO)(C1=CCC=C1)C1=CCC=C1.
What is the InChIKey of 3,3-di(cyclopenta-1,4-dien-1-yl)butan-1-ol?
The InChIKey is MRYDHKAPVCBCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-14(10-11-15,12-6-2-3-7-12)13-8-4-5-9-13/h2,4,6-9,15H,3,5,10-11H2,1H3.
What are the key properties of 3,3-di(cyclopenta-1,4-dien-1-yl)butan-1-ol?
3,3-di(cyclopenta-1,4-dien-1-yl)butan-1-ol has a molecular weight of 202.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(cyclopenta-1,4-dien-1-yl)butan-1-ol is sourced from PubChem (CID 87993482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).