2-chloro-2-methylhexane;cyclobutane

C11H23Cl — CID 175373010

IUPAC2-chloro-2-methylhexane;cyclobutane
SMILESC1CCC1.CCCCC(C)(C)Cl
InChIInChI=1S/C7H15Cl.C4H8/c1-4-5-6-7(2,3)8;1-2-4-3-1/h4-6H2,1-3H3;1-4H2
InChIKeyHEUNLCMQNVRQQR-UHFFFAOYSA-N
MW190.76 g/mol
LogP4.75
Rot. Bonds3

About 2-chloro-2-methylhexane;cyclobutane

2-chloro-2-methylhexane;cyclobutane (PubChem CID 175373010) has the molecular formula C11H23Cl and a molecular weight of 190.76 g/mol. Its IUPAC name is 2-chloro-2-methylhexane;cyclobutane.

Molecular Properties

Compound Name2-chloro-2-methylhexane;cyclobutane
PubChem CID175373010
Molecular FormulaC11H23Cl
Molecular Weight190.76 g/mol
Exact Mass190.15
IUPAC Name2-chloro-2-methylhexane;cyclobutane
SMILESC1CCC1.CCCCC(C)(C)Cl
InChIInChI=1S/C7H15Cl.C4H8/c1-4-5-6-7(2,3)8;1-2-4-3-1/h4-6H2,1-3H3;1-4H2
InChIKeyHEUNLCMQNVRQQR-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.76
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-2,6-dimethyldecane
CID 139809322
2-chloro-2-methylheptadecane
CID 19869804
azane;2-chloro-2-methyltridecane
CID 87093642
2-chloro-2-methylundecane;ethene
CID 158323150
(4R)-4-chloro-4-methyloctane
CID 129374949
2,2,3,3-tetrachloroheptane
CID 54246303
2,2-dimethylhexane
CID 169424592
(3-butyl-3-chloro-2-methylheptan-2-yl)silane
CID 123537188
5-chlorononan-5-amine
CID 88596915
1-chloropentane-1,1-diamine
CID 175198933
alumane;cyclohexane;hexane
CID 175455201
cyclopentane;ethane;pentane
CID 143543629

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-methylhexane;cyclobutane?
The IUPAC name of 2-chloro-2-methylhexane;cyclobutane (CID 175373010) is 2-chloro-2-methylhexane;cyclobutane.
What is the SMILES notation for 2-chloro-2-methylhexane;cyclobutane?
The canonical SMILES for 2-chloro-2-methylhexane;cyclobutane is C1CCC1.CCCCC(C)(C)Cl.
What is the InChIKey of 2-chloro-2-methylhexane;cyclobutane?
The InChIKey is HEUNLCMQNVRQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Cl.C4H8/c1-4-5-6-7(2,3)8;1-2-4-3-1/h4-6H2,1-3H3;1-4H2.
What are the key properties of 2-chloro-2-methylhexane;cyclobutane?
2-chloro-2-methylhexane;cyclobutane has a molecular weight of 190.76 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methylhexane;cyclobutane is sourced from PubChem (CID 175373010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).