(1,1-dimethoxy-2,2-dimethylpropyl)cyclohexane

C13H26O2 — CID 18667888

IUPAC(1,1-dimethoxy-2,2-dimethylpropyl)cyclohexane
SMILESCOC(OC)(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-12(2,3)13(14-4,15-5)11-9-7-6-8-10-11/h11H,6-10H2,1-5H3
InChIKeyIELPVMKWCTYJIC-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.60
Rot. Bonds3

About (1,1-dimethoxy-2,2-dimethylpropyl)cyclohexane

(1,1-dimethoxy-2,2-dimethylpropyl)cyclohexane (PubChem CID 18667888) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (1,1-dimethoxy-2,2-dimethylpropyl)cyclohexane.

Molecular Properties

Compound Name(1,1-dimethoxy-2,2-dimethylpropyl)cyclohexane
PubChem CID18667888
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(1,1-dimethoxy-2,2-dimethylpropyl)cyclohexane
SMILESCOC(OC)(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-12(2,3)13(14-4,15-5)11-9-7-6-8-10-11/h11H,6-10H2,1-5H3
InChIKeyIELPVMKWCTYJIC-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-2,2-dimethylpropyl)cyclohexane?
The IUPAC name of (1,1-dimethoxy-2,2-dimethylpropyl)cyclohexane (CID 18667888) is (1,1-dimethoxy-2,2-dimethylpropyl)cyclohexane.
What is the SMILES notation for (1,1-dimethoxy-2,2-dimethylpropyl)cyclohexane?
The canonical SMILES for (1,1-dimethoxy-2,2-dimethylpropyl)cyclohexane is COC(OC)(C1CCCCC1)C(C)(C)C.
What is the InChIKey of (1,1-dimethoxy-2,2-dimethylpropyl)cyclohexane?
The InChIKey is IELPVMKWCTYJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-12(2,3)13(14-4,15-5)11-9-7-6-8-10-11/h11H,6-10H2,1-5H3.
What are the key properties of (1,1-dimethoxy-2,2-dimethylpropyl)cyclohexane?
(1,1-dimethoxy-2,2-dimethylpropyl)cyclohexane has a molecular weight of 214.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dimethoxy-2,2-dimethylpropyl)cyclohexane is sourced from PubChem (CID 18667888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).