acetylene;2,4,6-trimethylheptane

C12H24 — CID 144531255

IUPACacetylene;2,4,6-trimethylheptane
SMILESC#C.CC(C)CC(C)CC(C)C
InChIInChI=1S/C10H22.C2H2/c1-8(2)6-10(5)7-9(3)4;1-2/h8-10H,6-7H2,1-5H3;1-2H
InChIKeyYAYKTYDYLPAYRA-UHFFFAOYSA-N
MW168.32 g/mol
LogP3.96
Rot. Bonds4

About acetylene;2,4,6-trimethylheptane

acetylene;2,4,6-trimethylheptane (PubChem CID 144531255) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is acetylene;2,4,6-trimethylheptane.

Molecular Properties

Compound Nameacetylene;2,4,6-trimethylheptane
PubChem CID144531255
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Nameacetylene;2,4,6-trimethylheptane
SMILESC#C.CC(C)CC(C)CC(C)C
InChIInChI=1S/C10H22.C2H2/c1-8(2)6-10(5)7-9(3)4;1-2/h8-10H,6-7H2,1-5H3;1-2H
InChIKeyYAYKTYDYLPAYRA-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 53.96
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

2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
CID 123384520
(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
propane;2,4,6-trimethylheptane
CID 165013878
acetylene;2,4-dimethylpentane
CID 167651238
2,4,6,8-tetramethyldecane
CID 54224604
2,7-dimethyloctane;2,4,6-trimethylheptane
CID 160877277
(2S,4R)-2,4,6-trimethylheptan-1-ol
CID 13109020
(4S)-2,4-dimethylhexane
CID 22810193
2,4-dimethylpentane
CID 157050020
2,4,6,8,10,12-hexamethylpentadecane
CID 15607000
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417
2,4,6,8,10,12-hexamethyltridecan-7-ol
CID 170848745

Frequently Asked Questions

What is the IUPAC name of acetylene;2,4,6-trimethylheptane?
The IUPAC name of acetylene;2,4,6-trimethylheptane (CID 144531255) is acetylene;2,4,6-trimethylheptane.
What is the SMILES notation for acetylene;2,4,6-trimethylheptane?
The canonical SMILES for acetylene;2,4,6-trimethylheptane is C#C.CC(C)CC(C)CC(C)C.
What is the InChIKey of acetylene;2,4,6-trimethylheptane?
The InChIKey is YAYKTYDYLPAYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C2H2/c1-8(2)6-10(5)7-9(3)4;1-2/h8-10H,6-7H2,1-5H3;1-2H.
What are the key properties of acetylene;2,4,6-trimethylheptane?
acetylene;2,4,6-trimethylheptane has a molecular weight of 168.32 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2,4,6-trimethylheptane is sourced from PubChem (CID 144531255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).