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

C11H21ClO2 — CID 54475902

IUPAC1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene
SMILESCOCC(CC=CCl)(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
InChIKeyXLNZPDLKSHHSBS-UHFFFAOYSA-N
MW220.74 g/mol
LogP3.06
Rot. Bonds7

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

1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene (PubChem CID 54475902) has the molecular formula C11H21ClO2 and a molecular weight of 220.74 g/mol. Its IUPAC name is 1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene.

Molecular Properties

Compound Name1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene
PubChem CID54475902
Molecular FormulaC11H21ClO2
Molecular Weight220.74 g/mol
Exact Mass220.12
IUPAC Name1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene
SMILESCOCC(CC=CCl)(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
InChIKeyXLNZPDLKSHHSBS-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene?
The IUPAC name of 1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene (CID 54475902) is 1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene.
What is the SMILES notation for 1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene?
The canonical SMILES for 1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene is COCC(CC=CCl)(COC)C(C)C.
What is the InChIKey of 1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene?
The InChIKey is XLNZPDLKSHHSBS-UHFFFAOYSA-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.
What are the key properties of 1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene?
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 1-chloro-4,4-bis(methoxymethyl)-5-methylhex-1-ene is sourced from PubChem (CID 54475902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).