(Z)-1-(1-methylcyclohexyl)pent-2-ene-1,4-dione

C12H18O2 — CID 67615765

IUPAC(Z)-1-(1-methylcyclohexyl)pent-2-ene-1,4-dione
SMILESCC(=O)/C=C\C(=O)C1(C)CCCCC1
InChIInChI=1S/C12H18O2/c1-10(13)6-7-11(14)12(2)8-4-3-5-9-12/h6-7H,3-5,8-9H2,1-2H3/b7-6-
InChIKeyUGDKLQBGAYSBGD-SREVYHEPSA-N
MW194.27 g/mol
LogP2.67
Rot. Bonds3

About (Z)-1-(1-methylcyclohexyl)pent-2-ene-1,4-dione

(Z)-1-(1-methylcyclohexyl)pent-2-ene-1,4-dione (PubChem CID 67615765) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (Z)-1-(1-methylcyclohexyl)pent-2-ene-1,4-dione.

Molecular Properties

Compound Name(Z)-1-(1-methylcyclohexyl)pent-2-ene-1,4-dione
PubChem CID67615765
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(Z)-1-(1-methylcyclohexyl)pent-2-ene-1,4-dione
SMILESCC(=O)/C=C\C(=O)C1(C)CCCCC1
InChIInChI=1S/C12H18O2/c1-10(13)6-7-11(14)12(2)8-4-3-5-9-12/h6-7H,3-5,8-9H2,1-2H3/b7-6-
InChIKeyUGDKLQBGAYSBGD-SREVYHEPSA-N
XLogP2.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-hex-3-ene-2,5-dione
CID 5363639
(E)-2-(1-methylcyclohexyl)but-2-enoic acid
CID 154963358
(E)-4-(1,4-dioxaspiro[4.5]decan-3-yl)but-3-en-2-one
CID 15758947
2-methyl-1-(1-methylcycloundecyl)propan-1-one
CID 123902684
1,6,6-trimethylcycloundecane-1-carboxylic acid
CID 70908763
(E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]pent-2-ene-1,4-dione
CID 11276154
N-[(1-methylcyclopentanecarbonyl)amino]formamide
CID 130634935
(E)-4-(1-prop-2-ynylcyclohexyl)but-3-en-2-one
CID 15947838
gallium tris(1-methylcyclopentane-1-carboxylate)
CID 22604540
2-methyl-1-(1-methylcyclohexyl)but-3-en-1-one
CID 15130498
9-bromo-3,9-dimethyl-azacycloundecane-3-carboxylic acid
CID 67473517
(E)-5-(2-azaspiro[3.6]decan-2-yl)pent-3-en-2-one
CID 155394845

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1-methylcyclohexyl)pent-2-ene-1,4-dione?
The IUPAC name of (Z)-1-(1-methylcyclohexyl)pent-2-ene-1,4-dione (CID 67615765) is (Z)-1-(1-methylcyclohexyl)pent-2-ene-1,4-dione.
What is the SMILES notation for (Z)-1-(1-methylcyclohexyl)pent-2-ene-1,4-dione?
The canonical SMILES for (Z)-1-(1-methylcyclohexyl)pent-2-ene-1,4-dione is CC(=O)/C=C\C(=O)C1(C)CCCCC1.
What is the InChIKey of (Z)-1-(1-methylcyclohexyl)pent-2-ene-1,4-dione?
The InChIKey is UGDKLQBGAYSBGD-SREVYHEPSA-N. The full InChI is InChI=1S/C12H18O2/c1-10(13)6-7-11(14)12(2)8-4-3-5-9-12/h6-7H,3-5,8-9H2,1-2H3/b7-6-.
What are the key properties of (Z)-1-(1-methylcyclohexyl)pent-2-ene-1,4-dione?
(Z)-1-(1-methylcyclohexyl)pent-2-ene-1,4-dione has a molecular weight of 194.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1-methylcyclohexyl)pent-2-ene-1,4-dione is sourced from PubChem (CID 67615765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).