(3R)-2,3-dimethylpentane;ethane;ethene

C13H32 — CID 178131669

IUPAC(3R)-2,3-dimethylpentane;ethane;ethene
SMILESC=C.CC.CC.CC[C@@H](C)C(C)C
InChIInChI=1S/C7H16.2C2H6.C2H4/c1-5-7(4)6(2)3;3*1-2/h6-7H,5H2,1-4H3;2*1-2H3;1-2H2/t7-;;;/m1.../s1
InChIKeyHQRVOPUUHAEWNO-LSBIWMFESA-N
MW188.40 g/mol
LogP5.54
Rot. Bonds2

About (3R)-2,3-dimethylpentane;ethane;ethene

(3R)-2,3-dimethylpentane;ethane;ethene (PubChem CID 178131669) has the molecular formula C13H32 and a molecular weight of 188.40 g/mol. Its IUPAC name is (3R)-2,3-dimethylpentane;ethane;ethene.

Molecular Properties

Compound Name(3R)-2,3-dimethylpentane;ethane;ethene
PubChem CID178131669
Molecular FormulaC13H32
Molecular Weight188.40 g/mol
Exact Mass188.25
IUPAC Name(3R)-2,3-dimethylpentane;ethane;ethene
SMILESC=C.CC.CC.CC[C@@H](C)C(C)C
InChIInChI=1S/C7H16.2C2H6.C2H4/c1-5-7(4)6(2)3;3*1-2/h6-7H,5H2,1-4H3;2*1-2H3;1-2H2/t7-;;;/m1.../s1
InChIKeyHQRVOPUUHAEWNO-LSBIWMFESA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500188.40
LogP ≤ 55.54
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

2,3-dimethylpentane;ethane;methane
CID 143379754
2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene
CID 143365587
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932
2,3-dimethylbutane;2,3-dimethylpentane;methanethiol
CID 171505915
cyclobutane;2,3-dimethylpentane
CID 145154125
(4S)-2,3,4-trimethylhexane
CID 58359072
bis(2,3-dimethylpentane);ethane;bis(2-methylbutane);bis(2-methylpentane)
CID 160533172
2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane
CID 159479339
2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane
CID 159853039
ethane;ethene;2-methylbutane;propane
CID 142006499
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
(5R)-2,3,5-trimethylheptane
CID 59882960

Frequently Asked Questions

What is the IUPAC name of (3R)-2,3-dimethylpentane;ethane;ethene?
The IUPAC name of (3R)-2,3-dimethylpentane;ethane;ethene (CID 178131669) is (3R)-2,3-dimethylpentane;ethane;ethene.
What is the SMILES notation for (3R)-2,3-dimethylpentane;ethane;ethene?
The canonical SMILES for (3R)-2,3-dimethylpentane;ethane;ethene is C=C.CC.CC.CC[C@@H](C)C(C)C.
What is the InChIKey of (3R)-2,3-dimethylpentane;ethane;ethene?
The InChIKey is HQRVOPUUHAEWNO-LSBIWMFESA-N. The full InChI is InChI=1S/C7H16.2C2H6.C2H4/c1-5-7(4)6(2)3;3*1-2/h6-7H,5H2,1-4H3;2*1-2H3;1-2H2/t7-;;;/m1.../s1.
What are the key properties of (3R)-2,3-dimethylpentane;ethane;ethene?
(3R)-2,3-dimethylpentane;ethane;ethene has a molecular weight of 188.40 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethylpentane;ethane;ethene is sourced from PubChem (CID 178131669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).