CID 91544051

C7H18 — CID 91544051

IUPAC—
SMILESCCCCC(C)C.[3H][3H]
InChIInChI=1S/C7H16.H2/c1-4-5-6-7(2)3;/h7H,4-6H2,1-3H3;1H/i;1+2T
InChIKeyJFZLXJRWBKSMPI-RCNZPAIWSA-N
MW106.24 g/mol
LogP3.08
Rot. Bonds3

About CID 91544051

CID 91544051 (PubChem CID 91544051) has the molecular formula C7H18 and a molecular weight of 106.24 g/mol.

Molecular Properties

Compound NameCID 91544051
PubChem CID91544051
Molecular FormulaC7H18
Molecular Weight106.24 g/mol
Exact Mass106.16
IUPAC Name—
SMILESCCCCC(C)C.[3H][3H]
InChIInChI=1S/C7H16.H2/c1-4-5-6-7(2)3;/h7H,4-6H2,1-3H3;1H/i;1+2T
InChIKeyJFZLXJRWBKSMPI-RCNZPAIWSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methylhexane;propane
CID 143695748
2-methylhexane;dihydrate
CID 155319003
2-methylhexane;hydrochloride
CID 172797630
ethane;hexane;2-methylhexane
CID 142051007
ethane;2-methylhexane;propane
CID 144516512
methane;2-methylbutane;2-methylhexane
CID 167665387
mercury;2-methylheptane
CID 175108338
2-methylpentaoctacontane
CID 90745672
bis(2-methylheptane);propane
CID 158714851
2-methyltetratriacontane
CID 14275207
cobalt;2-methylheptane
CID 175521472
λ2-plumbane;2-methylheptane
CID 175297432

Frequently Asked Questions

What is the IUPAC name of CID 91544051?
The IUPAC name of CID 91544051 (CID 91544051) is not available.
What is the SMILES notation for CID 91544051?
The canonical SMILES for CID 91544051 is CCCCC(C)C.[3H][3H].
What is the InChIKey of CID 91544051?
The InChIKey is JFZLXJRWBKSMPI-RCNZPAIWSA-N. The full InChI is InChI=1S/C7H16.H2/c1-4-5-6-7(2)3;/h7H,4-6H2,1-3H3;1H/i;1+2T.
What are the key properties of CID 91544051?
CID 91544051 has a molecular weight of 106.24 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91544051 is sourced from PubChem (CID 91544051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).