(E)-1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene

C11H21ClO2 — CID 19985333

IUPAC(E)-1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene
SMILESCOCC(C/C=C/Cl)(COC)C(C)C
InChIInChI=1S/C11H21ClO2/c1-10(2)11(8-13-3,9-14-4)6-5-7-12/h5,7,10H,6,8-9H2,1-4H3/b7-5+
InChIKeyXLNZPDLKSHHSBS-FNORWQNLSA-N
MW220.74 g/mol
LogP3.06
Rot. Bonds7

About (E)-1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene

(E)-1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene (PubChem CID 19985333) has the molecular formula C11H21ClO2 and a molecular weight of 220.74 g/mol. Its IUPAC name is (E)-1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene.

Molecular Properties

Compound Name(E)-1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene
PubChem CID19985333
Molecular FormulaC11H21ClO2
Molecular Weight220.74 g/mol
Exact Mass220.12
IUPAC Name(E)-1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene
SMILESCOCC(C/C=C/Cl)(COC)C(C)C
InChIInChI=1S/C11H21ClO2/c1-10(2)11(8-13-3,9-14-4)6-5-7-12/h5,7,10H,6,8-9H2,1-4H3/b7-5+
InChIKeyXLNZPDLKSHHSBS-FNORWQNLSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (E)-1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene?
The IUPAC name of (E)-1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene (CID 19985333) is (E)-1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene.
What is the SMILES notation for (E)-1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene?
The canonical SMILES for (E)-1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene is COCC(C/C=C/Cl)(COC)C(C)C.
What is the InChIKey of (E)-1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene?
The InChIKey is XLNZPDLKSHHSBS-FNORWQNLSA-N. The full InChI is InChI=1S/C11H21ClO2/c1-10(2)11(8-13-3,9-14-4)6-5-7-12/h5,7,10H,6,8-9H2,1-4H3/b7-5+.
What are the key properties of (E)-1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene?
(E)-1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene has a molecular weight of 220.74 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene is sourced from PubChem (CID 19985333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).