2-butan-2-ylhexylcyclopropane

C13H26 — CID 123731337

IUPAC2-butan-2-ylhexylcyclopropane
SMILESCCCCC(CC1CC1)C(C)CC
InChIInChI=1S/C13H26/c1-4-6-7-13(11(3)5-2)10-12-8-9-12/h11-13H,4-10H2,1-3H3
InChIKeyQUQOGQWFZXFDDP-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds7

About 2-butan-2-ylhexylcyclopropane

2-butan-2-ylhexylcyclopropane (PubChem CID 123731337) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2-butan-2-ylhexylcyclopropane.

Molecular Properties

Compound Name2-butan-2-ylhexylcyclopropane
PubChem CID123731337
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2-butan-2-ylhexylcyclopropane
SMILESCCCCC(CC1CC1)C(C)CC
InChIInChI=1S/C13H26/c1-4-6-7-13(11(3)5-2)10-12-8-9-12/h11-13H,4-10H2,1-3H3
InChIKeyQUQOGQWFZXFDDP-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[2-(cyclopropylmethyl)-3-methylpentyl]cyclobutane
CID 57296236
1-cyclopropyl-3-ethylheptan-2-ol
CID 115804014
4-(3-methyl-2-propylheptyl)cyclohexane-1-carbothialdehyde
CID 170133526
(2-ethyl-3-methylpentyl)cyclohexane
CID 91213059
2-butan-2-ylheptan-1-ol
CID 86041006
4-butan-2-yloctan-1-ol
CID 57029732
4-ethyl-3-methylundecane
CID 57279647
(2-chloro-3-methylpentyl)cyclopropane
CID 130480709
2-methyltridecylcyclopropane
CID 123424034
7-butan-2-yl-4-propylundecane
CID 123685614
1-cyclopropyl-3-methylpentan-2-amine
CID 64904257
5-butyl-3-methylnonane-4-thiol
CID 130319843

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylhexylcyclopropane?
The IUPAC name of 2-butan-2-ylhexylcyclopropane (CID 123731337) is 2-butan-2-ylhexylcyclopropane.
What is the SMILES notation for 2-butan-2-ylhexylcyclopropane?
The canonical SMILES for 2-butan-2-ylhexylcyclopropane is CCCCC(CC1CC1)C(C)CC.
What is the InChIKey of 2-butan-2-ylhexylcyclopropane?
The InChIKey is QUQOGQWFZXFDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-4-6-7-13(11(3)5-2)10-12-8-9-12/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-butan-2-ylhexylcyclopropane?
2-butan-2-ylhexylcyclopropane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylhexylcyclopropane is sourced from PubChem (CID 123731337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).