2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene

C26H68 — CID 143365587

IUPAC2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene
SMILESC=CC.CC.CC.CC.CC.CC.CC.CC(C)C.CCC(C)C(C)C
InChIInChI=1S/C7H16.C4H10.C3H6.6C2H6/c1-5-7(4)6(2)3;1-4(2)3;1-3-2;6*1-2/h6-7H,5H2,1-4H3;4H,1-3H3;3H,1H2,2H3;6*1-2H3
InChIKeyYTTYYRORKHGYCA-UHFFFAOYSA-N
MW380.83 g/mol
LogP11.70
Rot. Bonds2

About 2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene

2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene (PubChem CID 143365587) has the molecular formula C26H68 and a molecular weight of 380.83 g/mol. Its IUPAC name is 2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene.

Molecular Properties

Compound Name2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene
PubChem CID143365587
Molecular FormulaC26H68
Molecular Weight380.83 g/mol
Exact Mass380.53
IUPAC Name2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene
SMILESC=CC.CC.CC.CC.CC.CC.CC.CC(C)C.CCC(C)C(C)C
InChIInChI=1S/C7H16.C4H10.C3H6.6C2H6/c1-5-7(4)6(2)3;1-4(2)3;1-3-2;6*1-2/h6-7H,5H2,1-4H3;4H,1-3H3;3H,1H2,2H3;6*1-2H3
InChIKeyYTTYYRORKHGYCA-UHFFFAOYSA-N
XLogP11.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.83
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3R)-2,3-dimethylpentane;ethane;ethene
CID 178131669
2,3-dimethylpentane;ethane;methane
CID 143379754
ethane;2-methylpropane;prop-1-ene
CID 142053608
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
2,3-dimethylbutane;2,3-dimethylpentane;methanethiol
CID 171505915
cyclobutane;2,3-dimethylpentane
CID 145154125
ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene
CID 156818429
(4S)-2,3,4-trimethylhexane
CID 58359072
(Z)-but-2-ene;ethane;ethene;2-methylpropane;prop-1-ene
CID 171506340
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366
bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane)
CID 160533172
4,5,6-trimethyloct-1-ene
CID 91354249

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene?
The IUPAC name of 2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene (CID 143365587) is 2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene.
What is the SMILES notation for 2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene?
The canonical SMILES for 2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene is C=CC.CC.CC.CC.CC.CC.CC.CC(C)C.CCC(C)C(C)C.
What is the InChIKey of 2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene?
The InChIKey is YTTYYRORKHGYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C4H10.C3H6.6C2H6/c1-5-7(4)6(2)3;1-4(2)3;1-3-2;6*1-2/h6-7H,5H2,1-4H3;4H,1-3H3;3H,1H2,2H3;6*1-2H3.
What are the key properties of 2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene?
2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene has a molecular weight of 380.83 g/mol, XLogP of 11.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene is sourced from PubChem (CID 143365587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).