CID 59269667

C7H12 — CID 59269667

IUPAC—
SMILES[CH]C(C)C1CCC1
InChIInChI=1S/C7H12/c1-6(2)7-4-3-5-7/h1,6-7H,3-5H2,2H3
InChIKeyULEXZZOAPOMJIF-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.13
Rot. Bonds1

About CID 59269667

CID 59269667 (PubChem CID 59269667) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol.

Molecular Properties

Compound NameCID 59269667
PubChem CID59269667
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name—
SMILES[CH]C(C)C1CCC1
InChIInChI=1S/C7H12/c1-6(2)7-4-3-5-7/h1,6-7H,3-5H2,2H3
InChIKeyULEXZZOAPOMJIF-UHFFFAOYSA-N
XLogP2.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-cyclobutyl-2,3-dimethylbutan-1-ol
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1-cyclobutylpropane-1,2-diamine
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(1S)-1-cyclobutylethanamine;hydron;chloride
CID 118957169
3-cyclobutylbutan-2-ol
CID 54399039
carbanide;iron(2+);bis(propan-2-ylcyclopentane)
CID 162282173
methane;propan-2-ylcyclotetradecane
CID 159882779
[(2R)-3-methylbutan-2-yl]cyclopentane
CID 59954478
1-cyclopentylethylcyclohexane
CID 57034702
1-cyclopropylethylcyclopentane
CID 147777183
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317

Frequently Asked Questions

What is the IUPAC name of CID 59269667?
The IUPAC name of CID 59269667 (CID 59269667) is not available.
What is the SMILES notation for CID 59269667?
The canonical SMILES for CID 59269667 is [CH]C(C)C1CCC1.
What is the InChIKey of CID 59269667?
The InChIKey is ULEXZZOAPOMJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-6(2)7-4-3-5-7/h1,6-7H,3-5H2,2H3.
What are the key properties of CID 59269667?
CID 59269667 has a molecular weight of 96.17 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269667 is sourced from PubChem (CID 59269667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).