4,4-bis(methoxymethyl)-3,6-dimethylhept-2-ene

C13H26O2 — CID 54242012

IUPAC4,4-bis(methoxymethyl)-3,6-dimethylhept-2-ene
SMILESCC=C(C)C(COC)(COC)CC(C)C
InChIInChI=1S/C13H26O2/c1-7-12(4)13(9-14-5,10-15-6)8-11(2)3/h7,11H,8-10H2,1-6H3
InChIKeyQQRHEESVOJHCMN-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.28
Rot. Bonds7

About 4,4-bis(methoxymethyl)-3,6-dimethylhept-2-ene

4,4-bis(methoxymethyl)-3,6-dimethylhept-2-ene (PubChem CID 54242012) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 4,4-bis(methoxymethyl)-3,6-dimethylhept-2-ene.

Molecular Properties

Compound Name4,4-bis(methoxymethyl)-3,6-dimethylhept-2-ene
PubChem CID54242012
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name4,4-bis(methoxymethyl)-3,6-dimethylhept-2-ene
SMILESCC=C(C)C(COC)(COC)CC(C)C
InChIInChI=1S/C13H26O2/c1-7-12(4)13(9-14-5,10-15-6)8-11(2)3/h7,11H,8-10H2,1-6H3
InChIKeyQQRHEESVOJHCMN-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(methoxymethyl)-3,6-dimethylhept-2-ene?
The IUPAC name of 4,4-bis(methoxymethyl)-3,6-dimethylhept-2-ene (CID 54242012) is 4,4-bis(methoxymethyl)-3,6-dimethylhept-2-ene.
What is the SMILES notation for 4,4-bis(methoxymethyl)-3,6-dimethylhept-2-ene?
The canonical SMILES for 4,4-bis(methoxymethyl)-3,6-dimethylhept-2-ene is CC=C(C)C(COC)(COC)CC(C)C.
What is the InChIKey of 4,4-bis(methoxymethyl)-3,6-dimethylhept-2-ene?
The InChIKey is QQRHEESVOJHCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-7-12(4)13(9-14-5,10-15-6)8-11(2)3/h7,11H,8-10H2,1-6H3.
What are the key properties of 4,4-bis(methoxymethyl)-3,6-dimethylhept-2-ene?
4,4-bis(methoxymethyl)-3,6-dimethylhept-2-ene has a molecular weight of 214.35 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(methoxymethyl)-3,6-dimethylhept-2-ene is sourced from PubChem (CID 54242012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).