2-hexyl-1,1-dimethoxycyclobutane

C12H24O2 — CID 11412991

IUPAC2-hexyl-1,1-dimethoxycyclobutane
SMILESCCCCCCC1CCC1(OC)OC
InChIInChI=1S/C12H24O2/c1-4-5-6-7-8-11-9-10-12(11,13-2)14-3/h11H,4-10H2,1-3H3
InChIKeyVQEGPGYGLPUJEL-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.36
Rot. Bonds7

About 2-hexyl-1,1-dimethoxycyclobutane

2-hexyl-1,1-dimethoxycyclobutane (PubChem CID 11412991) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-hexyl-1,1-dimethoxycyclobutane.

Molecular Properties

Compound Name2-hexyl-1,1-dimethoxycyclobutane
PubChem CID11412991
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-hexyl-1,1-dimethoxycyclobutane
SMILESCCCCCCC1CCC1(OC)OC
InChIInChI=1S/C12H24O2/c1-4-5-6-7-8-11-9-10-12(11,13-2)14-3/h11H,4-10H2,1-3H3
InChIKeyVQEGPGYGLPUJEL-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.36
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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Related Compounds

1,1-dimethoxy-2-octylcyclododecane
CID 134883102
3-dodecyl-2,2,6,6-tetramethylpiperidine
CID 173069280
1,1-dimethyl-2-octylcyclopropane
CID 15329257
2-heptyl-1,1-dimethylcycloundecane
CID 174977900
3-(2,2-dimethoxycyclohexyl)propan-1-ol
CID 10352822
1-methyl-2-pentylcyclopropan-1-ol
CID 15701982
4-octylspiro[4.5]decane
CID 139968258
1,1-dibromo-2-octylcyclopropane
CID 2780238
1,1-dichloro-2-octylcyclopropane
CID 10799099
(2R)-1,1-difluoro-2-octylcyclopropane
CID 122227717
octadecane;pentadecylcyclopropane
CID 173301851
1,4-dihexylcyclohexane
CID 22947938

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1,1-dimethoxycyclobutane?
The IUPAC name of 2-hexyl-1,1-dimethoxycyclobutane (CID 11412991) is 2-hexyl-1,1-dimethoxycyclobutane.
What is the SMILES notation for 2-hexyl-1,1-dimethoxycyclobutane?
The canonical SMILES for 2-hexyl-1,1-dimethoxycyclobutane is CCCCCCC1CCC1(OC)OC.
What is the InChIKey of 2-hexyl-1,1-dimethoxycyclobutane?
The InChIKey is VQEGPGYGLPUJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-5-6-7-8-11-9-10-12(11,13-2)14-3/h11H,4-10H2,1-3H3.
What are the key properties of 2-hexyl-1,1-dimethoxycyclobutane?
2-hexyl-1,1-dimethoxycyclobutane has a molecular weight of 200.32 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1,1-dimethoxycyclobutane is sourced from PubChem (CID 11412991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).