1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanol

C9H10O — CID 57358466

IUPAC1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanol
SMILESC=c1ccccc1=C(C)O
InChIInChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6,10H,1H2,2H3
InChIKeyJOOXKAJAHXLBNC-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.78
Rot. Bonds

About 1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanol

1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanol (PubChem CID 57358466) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanol.

Molecular Properties

Compound Name1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanol
PubChem CID57358466
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanol
SMILESC=c1ccccc1=C(C)O
InChIInChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6,10H,1H2,2H3
InChIKeyJOOXKAJAHXLBNC-UHFFFAOYSA-N
XLogP0.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanol?
The IUPAC name of 1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanol (CID 57358466) is 1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanol.
What is the SMILES notation for 1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanol?
The canonical SMILES for 1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanol is C=c1ccccc1=C(C)O.
What is the InChIKey of 1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanol?
The InChIKey is JOOXKAJAHXLBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6,10H,1H2,2H3.
What are the key properties of 1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanol?
1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanol has a molecular weight of 134.18 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)ethanol is sourced from PubChem (CID 57358466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).