(4Z)-1-(1-methoxyethyl)-3-methylidene-4-pentan-2-ylidenecyclohexene

C15H24O — CID 165407756

IUPAC(4Z)-1-(1-methoxyethyl)-3-methylidene-4-pentan-2-ylidenecyclohexene
SMILESC=C1C=C(C(C)OC)CC/C1=C(\C)CCC
InChIInChI=1S/C15H24O/c1-6-7-11(2)15-9-8-14(10-12(15)3)13(4)16-5/h10,13H,3,6-9H2,1-2,4-5H3/b15-11-
InChIKeyUAPGLXXPXXGPDX-PTNGSMBKSA-N
MW220.36 g/mol
LogP4.41
Rot. Bonds4

About (4Z)-1-(1-methoxyethyl)-3-methylidene-4-pentan-2-ylidenecyclohexene

(4Z)-1-(1-methoxyethyl)-3-methylidene-4-pentan-2-ylidenecyclohexene (PubChem CID 165407756) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (4Z)-1-(1-methoxyethyl)-3-methylidene-4-pentan-2-ylidenecyclohexene.

Molecular Properties

Compound Name(4Z)-1-(1-methoxyethyl)-3-methylidene-4-pentan-2-ylidenecyclohexene
PubChem CID165407756
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(4Z)-1-(1-methoxyethyl)-3-methylidene-4-pentan-2-ylidenecyclohexene
SMILESC=C1C=C(C(C)OC)CC/C1=C(\C)CCC
InChIInChI=1S/C15H24O/c1-6-7-11(2)15-9-8-14(10-12(15)3)13(4)16-5/h10,13H,3,6-9H2,1-2,4-5H3/b15-11-
InChIKeyUAPGLXXPXXGPDX-PTNGSMBKSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z)-1-(1-methoxyethyl)-3-methylidene-4-pentan-2-ylidenecyclohexene?
The IUPAC name of (4Z)-1-(1-methoxyethyl)-3-methylidene-4-pentan-2-ylidenecyclohexene (CID 165407756) is (4Z)-1-(1-methoxyethyl)-3-methylidene-4-pentan-2-ylidenecyclohexene.
What is the SMILES notation for (4Z)-1-(1-methoxyethyl)-3-methylidene-4-pentan-2-ylidenecyclohexene?
The canonical SMILES for (4Z)-1-(1-methoxyethyl)-3-methylidene-4-pentan-2-ylidenecyclohexene is C=C1C=C(C(C)OC)CC/C1=C(\C)CCC.
What is the InChIKey of (4Z)-1-(1-methoxyethyl)-3-methylidene-4-pentan-2-ylidenecyclohexene?
The InChIKey is UAPGLXXPXXGPDX-PTNGSMBKSA-N. The full InChI is InChI=1S/C15H24O/c1-6-7-11(2)15-9-8-14(10-12(15)3)13(4)16-5/h10,13H,3,6-9H2,1-2,4-5H3/b15-11-.
What are the key properties of (4Z)-1-(1-methoxyethyl)-3-methylidene-4-pentan-2-ylidenecyclohexene?
(4Z)-1-(1-methoxyethyl)-3-methylidene-4-pentan-2-ylidenecyclohexene has a molecular weight of 220.36 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-(1-methoxyethyl)-3-methylidene-4-pentan-2-ylidenecyclohexene is sourced from PubChem (CID 165407756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).