acetylene;3-methylhept-1-ene;propane

C13H26 — CID 144520771

IUPACacetylene;3-methylhept-1-ene;propane
SMILESC#C.C=CC(C)CCCC.CCC
InChIInChI=1S/C8H16.C3H8.C2H2/c1-4-6-7-8(3)5-2;1-3-2;1-2/h5,8H,2,4,6-7H2,1,3H3;3H2,1-2H3;1-2H
InChIKeyVIAOKBPIEYWLEN-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.66
Rot. Bonds4

About acetylene;3-methylhept-1-ene;propane

acetylene;3-methylhept-1-ene;propane (PubChem CID 144520771) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is acetylene;3-methylhept-1-ene;propane.

Molecular Properties

Compound Nameacetylene;3-methylhept-1-ene;propane
PubChem CID144520771
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Nameacetylene;3-methylhept-1-ene;propane
SMILESC#C.C=CC(C)CCCC.CCC
InChIInChI=1S/C8H16.C3H8.C2H2/c1-4-6-7-8(3)5-2;1-3-2;1-2/h5,8H,2,4,6-7H2,1,3H3;3H2,1-2H3;1-2H
InChIKeyVIAOKBPIEYWLEN-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butane;3,6-dimethylocta-1,7-diene;ethane;propane
CID 144723339
3-methyltrideca-1,7-diene
CID 173000004
3,6,8-trimethyldodec-1-ene
CID 123174555
3,8-dimethylnon-1-ene
CID 54356105
5-methylnona-1,3-diene
CID 90893682
(3R,5S)-3-methyldec-1-en-5-ol
CID 135060658
carbonic acid;3-methylhex-1-ene
CID 161181273
(3R,7S)-3,7,11-trimethyldodec-1-ene
CID 25113592
3,6-dimethylhept-1-ene
CID 18443713
(3S,4R)-3-methyloct-1-en-4-amine
CID 134994572
(3R,4R)-3-methyloct-1-en-4-ol
CID 13087267
4-methyloct-2-ene
CID 528286

Frequently Asked Questions

What is the IUPAC name of acetylene;3-methylhept-1-ene;propane?
The IUPAC name of acetylene;3-methylhept-1-ene;propane (CID 144520771) is acetylene;3-methylhept-1-ene;propane.
What is the SMILES notation for acetylene;3-methylhept-1-ene;propane?
The canonical SMILES for acetylene;3-methylhept-1-ene;propane is C#C.C=CC(C)CCCC.CCC.
What is the InChIKey of acetylene;3-methylhept-1-ene;propane?
The InChIKey is VIAOKBPIEYWLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C3H8.C2H2/c1-4-6-7-8(3)5-2;1-3-2;1-2/h5,8H,2,4,6-7H2,1,3H3;3H2,1-2H3;1-2H.
What are the key properties of acetylene;3-methylhept-1-ene;propane?
acetylene;3-methylhept-1-ene;propane has a molecular weight of 182.35 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;3-methylhept-1-ene;propane is sourced from PubChem (CID 144520771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).