1,1-dimethoxy-3-methylundecane

C14H30O2 — CID 87234498

IUPAC1,1-dimethoxy-3-methylundecane
SMILESCCCCCCCCC(C)CC(OC)OC
InChIInChI=1S/C14H30O2/c1-5-6-7-8-9-10-11-13(2)12-14(15-3)16-4/h13-14H,5-12H2,1-4H3
InChIKeyGHOZNKQEXKYILH-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.38
Rot. Bonds11

About 1,1-dimethoxy-3-methylundecane

1,1-dimethoxy-3-methylundecane (PubChem CID 87234498) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1,1-dimethoxy-3-methylundecane.

Molecular Properties

Compound Name1,1-dimethoxy-3-methylundecane
PubChem CID87234498
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name1,1-dimethoxy-3-methylundecane
SMILESCCCCCCCCC(C)CC(OC)OC
InChIInChI=1S/C14H30O2/c1-5-6-7-8-9-10-11-13(2)12-14(15-3)16-4/h13-14H,5-12H2,1-4H3
InChIKeyGHOZNKQEXKYILH-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-3-methylundecane?
The IUPAC name of 1,1-dimethoxy-3-methylundecane (CID 87234498) is 1,1-dimethoxy-3-methylundecane.
What is the SMILES notation for 1,1-dimethoxy-3-methylundecane?
The canonical SMILES for 1,1-dimethoxy-3-methylundecane is CCCCCCCCC(C)CC(OC)OC.
What is the InChIKey of 1,1-dimethoxy-3-methylundecane?
The InChIKey is GHOZNKQEXKYILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-5-6-7-8-9-10-11-13(2)12-14(15-3)16-4/h13-14H,5-12H2,1-4H3.
What are the key properties of 1,1-dimethoxy-3-methylundecane?
1,1-dimethoxy-3-methylundecane has a molecular weight of 230.39 g/mol, XLogP of 4.38, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-3-methylundecane is sourced from PubChem (CID 87234498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).