acetylene;4-methylheptane

C10H20 — CID 143164229

IUPACacetylene;4-methylheptane
SMILESC#C.CCCC(C)CCC
InChIInChI=1S/C8H18.C2H2/c1-4-6-8(3)7-5-2;1-2/h8H,4-7H2,1-3H3;1-2H
InChIKeyDQJBMVNEXXWMIV-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.47
Rot. Bonds4

About acetylene;4-methylheptane

acetylene;4-methylheptane (PubChem CID 143164229) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is acetylene;4-methylheptane.

Molecular Properties

Compound Nameacetylene;4-methylheptane
PubChem CID143164229
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Nameacetylene;4-methylheptane
SMILESC#C.CCCC(C)CCC
InChIInChI=1S/C8H18.C2H2/c1-4-6-8(3)7-5-2;1-2/h8H,4-7H2,1-3H3;1-2H
InChIKeyDQJBMVNEXXWMIV-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-methylheptane
CID 91413347
4-methylheptane
CID 11512
4-methylheptane;propane
CID 142171269
4-methylheptane;pentane
CID 142501546
(3R,6R)-3,6-dimethylnonane
CID 170848352
4-methyltritriacontane
CID 71346224
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

Frequently Asked Questions

What is the IUPAC name of acetylene;4-methylheptane?
The IUPAC name of acetylene;4-methylheptane (CID 143164229) is acetylene;4-methylheptane.
What is the SMILES notation for acetylene;4-methylheptane?
The canonical SMILES for acetylene;4-methylheptane is C#C.CCCC(C)CCC.
What is the InChIKey of acetylene;4-methylheptane?
The InChIKey is DQJBMVNEXXWMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C2H2/c1-4-6-8(3)7-5-2;1-2/h8H,4-7H2,1-3H3;1-2H.
What are the key properties of acetylene;4-methylheptane?
acetylene;4-methylheptane has a molecular weight of 140.27 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;4-methylheptane is sourced from PubChem (CID 143164229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).