1-cyclopenta-2,4-dien-1-ylidene-3-methylbut-2-en-1-ol

C10H12O — CID 140977465

IUPAC1-cyclopenta-2,4-dien-1-ylidene-3-methylbut-2-en-1-ol
SMILESCC(C)=CC(O)=C1C=CC=C1
InChIInChI=1S/C10H12O/c1-8(2)7-10(11)9-5-3-4-6-9/h3-7,11H,1-2H3
InChIKeyDMXCRAXQZHXXSB-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.89
Rot. Bonds1

About 1-cyclopenta-2,4-dien-1-ylidene-3-methylbut-2-en-1-ol

1-cyclopenta-2,4-dien-1-ylidene-3-methylbut-2-en-1-ol (PubChem CID 140977465) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylidene-3-methylbut-2-en-1-ol.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylidene-3-methylbut-2-en-1-ol
PubChem CID140977465
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name1-cyclopenta-2,4-dien-1-ylidene-3-methylbut-2-en-1-ol
SMILESCC(C)=CC(O)=C1C=CC=C1
InChIInChI=1S/C10H12O/c1-8(2)7-10(11)9-5-3-4-6-9/h3-7,11H,1-2H3
InChIKeyDMXCRAXQZHXXSB-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

5-butan-2-ylidenecyclopenta-1,3-diene
CID 162397478
bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron
CID 171395328
bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);ruthenium(2+)
CID 158604090
carbon monoxide;1-cyclopenta-2,4-dien-1-ylideneethanolate;manganese
CID 12618807
1-cyclopenta-2,4-dien-1-ylideneethanol;iron;5-methylcyclopenta-1,3-diene
CID 172558213
5-(difluoromethylidene)cyclopenta-1,3-diene
CID 13428390
(2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol
CID 132542568
2,2-dichloro-1-cyclopenta-2,4-dien-1-ylideneethanol
CID 12723680
5-[1-(cyclobuten-1-yl)ethylidene]cyclopenta-1,3-diene
CID 174409389
3-methylbut-2-enoic acid;propan-2-one
CID 174970520
azane;3-methylbut-2-enoic acid
CID 21422194
cyclopenta-2,4-dien-1-ylidenemethanol fluoride
CID 139243616

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylidene-3-methylbut-2-en-1-ol?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylidene-3-methylbut-2-en-1-ol (CID 140977465) is 1-cyclopenta-2,4-dien-1-ylidene-3-methylbut-2-en-1-ol.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylidene-3-methylbut-2-en-1-ol?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylidene-3-methylbut-2-en-1-ol is CC(C)=CC(O)=C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylidene-3-methylbut-2-en-1-ol?
The InChIKey is DMXCRAXQZHXXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-8(2)7-10(11)9-5-3-4-6-9/h3-7,11H,1-2H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylidene-3-methylbut-2-en-1-ol?
1-cyclopenta-2,4-dien-1-ylidene-3-methylbut-2-en-1-ol has a molecular weight of 148.20 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylidene-3-methylbut-2-en-1-ol is sourced from PubChem (CID 140977465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).