1-hexan-3-yl-1-methylcyclobutane

C11H22 — CID 91314067

IUPAC1-hexan-3-yl-1-methylcyclobutane
SMILESCCCC(CC)C1(C)CCC1
InChIInChI=1S/C11H22/c1-4-7-10(5-2)11(3)8-6-9-11/h10H,4-9H2,1-3H3
InChIKeyCIURDGUQQGGQPF-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.00
Rot. Bonds4

About 1-hexan-3-yl-1-methylcyclobutane

1-hexan-3-yl-1-methylcyclobutane (PubChem CID 91314067) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1-hexan-3-yl-1-methylcyclobutane.

Molecular Properties

Compound Name1-hexan-3-yl-1-methylcyclobutane
PubChem CID91314067
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1-hexan-3-yl-1-methylcyclobutane
SMILESCCCC(CC)C1(C)CCC1
InChIInChI=1S/C11H22/c1-4-7-10(5-2)11(3)8-6-9-11/h10H,4-9H2,1-3H3
InChIKeyCIURDGUQQGGQPF-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-di(hexan-3-yl)cyclohexane-1,2-diamine
CID 141199868
1-butan-2-yl-1-methylcyclobutane;ethane
CID 167444741
2-methyl-1-(1-methylcyclopentyl)pentan-1-amine
CID 107893998
1-methyl-1-pentan-2-ylcyclopropane
CID 57204658
1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane
CID 123463743
1-(1-methylcyclopentyl)propan-1-amine
CID 114979259
2-(1,2,2-trimethylcyclopentyl)pentanoic acid
CID 139578285
(4S)-4-[(1S)-5-methyl-1-bicyclo[3.2.0]heptanyl]heptan-2-ol
CID 163813783
N-ethyl-2-methyl-1-(1-methylcyclopentyl)pentan-1-amine
CID 107894240
1-ethyl-2-hexan-3-yl-1,2,3-trimethylcyclopropane
CID 123787972
N-[1-(1-methylcyclopropyl)ethyl]hexan-3-amine
CID 62119280
iron(3+);tris(1-(1-methylcycloheptyl)propan-1-olate)
CID 69456430

Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-1-methylcyclobutane?
The IUPAC name of 1-hexan-3-yl-1-methylcyclobutane (CID 91314067) is 1-hexan-3-yl-1-methylcyclobutane.
What is the SMILES notation for 1-hexan-3-yl-1-methylcyclobutane?
The canonical SMILES for 1-hexan-3-yl-1-methylcyclobutane is CCCC(CC)C1(C)CCC1.
What is the InChIKey of 1-hexan-3-yl-1-methylcyclobutane?
The InChIKey is CIURDGUQQGGQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-4-7-10(5-2)11(3)8-6-9-11/h10H,4-9H2,1-3H3.
What are the key properties of 1-hexan-3-yl-1-methylcyclobutane?
1-hexan-3-yl-1-methylcyclobutane has a molecular weight of 154.30 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-yl-1-methylcyclobutane is sourced from PubChem (CID 91314067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).