(3-methylcyclohexa-1,3-dien-1-yl)methanol

C8H12O — CID 123140542

IUPAC(3-methylcyclohexa-1,3-dien-1-yl)methanol
SMILESCC1=CCCC(CO)=C1
InChIInChI=1S/C8H12O/c1-7-3-2-4-8(5-7)6-9/h3,5,9H,2,4,6H2,1H3
InChIKeyIIQLOCUDYHWBJZ-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.65
Rot. Bonds1

About (3-methylcyclohexa-1,3-dien-1-yl)methanol

(3-methylcyclohexa-1,3-dien-1-yl)methanol (PubChem CID 123140542) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (3-methylcyclohexa-1,3-dien-1-yl)methanol.

Molecular Properties

Compound Name(3-methylcyclohexa-1,3-dien-1-yl)methanol
PubChem CID123140542
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(3-methylcyclohexa-1,3-dien-1-yl)methanol
SMILESCC1=CCCC(CO)=C1
InChIInChI=1S/C8H12O/c1-7-3-2-4-8(5-7)6-9/h3,5,9H,2,4,6H2,1H3
InChIKeyIIQLOCUDYHWBJZ-UHFFFAOYSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-methylcyclohexa-1,3-diene
CID 18512584
1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene
CID 163751542
(3-methylcyclohexa-1,3-dien-1-yl)silane
CID 173485389
2-[[(1Z)-5-methylcycloocta-1,3,5-trien-1-yl]methylamino]ethanol
CID 174004788
methyl 3-methylcyclohexa-1,3-diene-1-carboxylate
CID 12533909
[(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol
CID 166967627
(3,5-dimethylcyclohexa-1,3-dien-1-yl)methanol
CID 142213617
1-ethoxy-3-methylcyclohexa-1,3-diene
CID 21315553
methane;methoxyethane;2-(3-methylcyclohexa-1,3-dien-1-yl)ethylbenzene;2-methylprop-1-ene;hydrate
CID 142077362
cyclododecen-1-ylmethanol
CID 70464862
ethane;1-[(E)-5-methoxy-4,4-dimethylpent-1-enyl]-3-methylcyclohexa-1,3-diene
CID 143867259
methanol;2-methylcyclohexa-1,3-diene;propane
CID 142947667

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexa-1,3-dien-1-yl)methanol?
The IUPAC name of (3-methylcyclohexa-1,3-dien-1-yl)methanol (CID 123140542) is (3-methylcyclohexa-1,3-dien-1-yl)methanol.
What is the SMILES notation for (3-methylcyclohexa-1,3-dien-1-yl)methanol?
The canonical SMILES for (3-methylcyclohexa-1,3-dien-1-yl)methanol is CC1=CCCC(CO)=C1.
What is the InChIKey of (3-methylcyclohexa-1,3-dien-1-yl)methanol?
The InChIKey is IIQLOCUDYHWBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-7-3-2-4-8(5-7)6-9/h3,5,9H,2,4,6H2,1H3.
What are the key properties of (3-methylcyclohexa-1,3-dien-1-yl)methanol?
(3-methylcyclohexa-1,3-dien-1-yl)methanol has a molecular weight of 124.18 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexa-1,3-dien-1-yl)methanol is sourced from PubChem (CID 123140542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).