2-but-2-enylidene-4-methoxy-1-methylcyclohexane

C12H20O — CID 123890054

IUPAC2-but-2-enylidene-4-methoxy-1-methylcyclohexane
SMILESCC=CC=C1CC(OC)CCC1C
InChIInChI=1S/C12H20O/c1-4-5-6-11-9-12(13-3)8-7-10(11)2/h4-6,10,12H,7-9H2,1-3H3
InChIKeyXUVYKFQHSKMWFM-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.32
Rot. Bonds2

About 2-but-2-enylidene-4-methoxy-1-methylcyclohexane

2-but-2-enylidene-4-methoxy-1-methylcyclohexane (PubChem CID 123890054) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-but-2-enylidene-4-methoxy-1-methylcyclohexane.

Molecular Properties

Compound Name2-but-2-enylidene-4-methoxy-1-methylcyclohexane
PubChem CID123890054
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-but-2-enylidene-4-methoxy-1-methylcyclohexane
SMILESCC=CC=C1CC(OC)CCC1C
InChIInChI=1S/C12H20O/c1-4-5-6-11-9-12(13-3)8-7-10(11)2/h4-6,10,12H,7-9H2,1-3H3
InChIKeyXUVYKFQHSKMWFM-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1E,2S)-1-ethylidene-2-methylcyclohexane
CID 148695286
(2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]cyclopropane
CID 143390325
1-but-2-enylidene-2-prop-1-enylcyclopentane
CID 131859563
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
methoxycyclooctane
CID 551195
methoxycyclopentane;dihydrate
CID 159895201
azane;methoxycyclopentane
CID 70270429
(4E)-4-[(2Z)-2-(3,5-dimethoxy-2-methylcyclohexylidene)ethylidene]-1,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-indene
CID 59887787
ethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene)
CID 67782468
4-[(2E)-2-[(E)-but-2-enylidene]cyclopropyl]butan-1-amine
CID 174081834
(1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane
CID 102151765
3-methoxycyclopentan-1-one;molecular hydrogen
CID 142607511

Frequently Asked Questions

What is the IUPAC name of 2-but-2-enylidene-4-methoxy-1-methylcyclohexane?
The IUPAC name of 2-but-2-enylidene-4-methoxy-1-methylcyclohexane (CID 123890054) is 2-but-2-enylidene-4-methoxy-1-methylcyclohexane.
What is the SMILES notation for 2-but-2-enylidene-4-methoxy-1-methylcyclohexane?
The canonical SMILES for 2-but-2-enylidene-4-methoxy-1-methylcyclohexane is CC=CC=C1CC(OC)CCC1C.
What is the InChIKey of 2-but-2-enylidene-4-methoxy-1-methylcyclohexane?
The InChIKey is XUVYKFQHSKMWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-4-5-6-11-9-12(13-3)8-7-10(11)2/h4-6,10,12H,7-9H2,1-3H3.
What are the key properties of 2-but-2-enylidene-4-methoxy-1-methylcyclohexane?
2-but-2-enylidene-4-methoxy-1-methylcyclohexane has a molecular weight of 180.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enylidene-4-methoxy-1-methylcyclohexane is sourced from PubChem (CID 123890054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).