1-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylcyclohexane

C11H19ClO — CID 721789

IUPAC1-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylcyclohexane
SMILESC/C(=C\Cl)COC1CCC(C)CC1
InChIInChI=1S/C11H19ClO/c1-9-3-5-11(6-4-9)13-8-10(2)7-12/h7,9,11H,3-6,8H2,1-2H3/b10-7+
InChIKeyQJOPFXMGFCXAFO-JXMROGBWSA-N
MW202.72 g/mol
LogP3.72
Rot. Bonds3

About 1-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylcyclohexane

1-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylcyclohexane (PubChem CID 721789) has the molecular formula C11H19ClO and a molecular weight of 202.72 g/mol. Its IUPAC name is 1-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylcyclohexane
PubChem CID721789
Molecular FormulaC11H19ClO
Molecular Weight202.72 g/mol
Exact Mass202.11
IUPAC Name1-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylcyclohexane
SMILESC/C(=C\Cl)COC1CCC(C)CC1
InChIInChI=1S/C11H19ClO/c1-9-3-5-11(6-4-9)13-8-10(2)7-12/h7,9,11H,3-6,8H2,1-2H3/b10-7+
InChIKeyQJOPFXMGFCXAFO-JXMROGBWSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.72
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylcyclohexane?
The IUPAC name of 1-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylcyclohexane (CID 721789) is 1-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylcyclohexane.
What is the SMILES notation for 1-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylcyclohexane?
The canonical SMILES for 1-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylcyclohexane is C/C(=C\Cl)COC1CCC(C)CC1.
What is the InChIKey of 1-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylcyclohexane?
The InChIKey is QJOPFXMGFCXAFO-JXMROGBWSA-N. The full InChI is InChI=1S/C11H19ClO/c1-9-3-5-11(6-4-9)13-8-10(2)7-12/h7,9,11H,3-6,8H2,1-2H3/b10-7+.
What are the key properties of 1-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylcyclohexane?
1-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylcyclohexane has a molecular weight of 202.72 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloro-2-methylprop-2-enoxy]-4-methylcyclohexane is sourced from PubChem (CID 721789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).