4-methylheptane;propane

C14H34 — CID 142171269

IUPAC4-methylheptane;propane
SMILESCCC.CCC.CCCC(C)CCC
InChIInChI=1S/C8H18.2C3H8/c1-4-6-8(3)7-5-2;2*1-3-2/h8H,4-7H2,1-3H3;2*3H2,1-2H3
InChIKeyFBVNRFYEMZFPFN-UHFFFAOYSA-N
MW202.43 g/mol
LogP6.06
Rot. Bonds4

About 4-methylheptane;propane

4-methylheptane;propane (PubChem CID 142171269) has the molecular formula C14H34 and a molecular weight of 202.43 g/mol. Its IUPAC name is 4-methylheptane;propane.

Molecular Properties

Compound Name4-methylheptane;propane
PubChem CID142171269
Molecular FormulaC14H34
Molecular Weight202.43 g/mol
Exact Mass202.27
IUPAC Name4-methylheptane;propane
SMILESCCC.CCC.CCCC(C)CCC
InChIInChI=1S/C8H18.2C3H8/c1-4-6-8(3)7-5-2;2*1-3-2/h8H,4-7H2,1-3H3;2*3H2,1-2H3
InChIKeyFBVNRFYEMZFPFN-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.43
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-methylheptane
CID 91413347
4-methylheptane
CID 11512
acetylene;4-methylheptane
CID 143164229
4-methylheptane;pentane
CID 142501546
(3R,6R)-3,6-dimethylnonane
CID 170848352
4,13-dimethylheptadecane
CID 6430494
(4S)-4-methyltridecane
CID 24884428
bis(3-methylhexyl)alumanylium
CID 90200144
3,6-dimethylnonane;ethane;3-methylpentane
CID 143978343
4,9-dimethylpentadecane
CID 123851930
(4R)-4-methyldecane
CID 57191620
4-methyloctadecane
CID 517866

Frequently Asked Questions

What is the IUPAC name of 4-methylheptane;propane?
The IUPAC name of 4-methylheptane;propane (CID 142171269) is 4-methylheptane;propane.
What is the SMILES notation for 4-methylheptane;propane?
The canonical SMILES for 4-methylheptane;propane is CCC.CCC.CCCC(C)CCC.
What is the InChIKey of 4-methylheptane;propane?
The InChIKey is FBVNRFYEMZFPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.2C3H8/c1-4-6-8(3)7-5-2;2*1-3-2/h8H,4-7H2,1-3H3;2*3H2,1-2H3.
What are the key properties of 4-methylheptane;propane?
4-methylheptane;propane has a molecular weight of 202.43 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylheptane;propane is sourced from PubChem (CID 142171269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).