2,3-dimethylheptane;ethane

C13H32 — CID 156648444

IUPAC2,3-dimethylheptane;ethane
SMILESCC.CC.CCCCC(C)C(C)C
InChIInChI=1S/C9H20.2C2H6/c1-5-6-7-9(4)8(2)3;2*1-2/h8-9H,5-7H2,1-4H3;2*1-2H3
InChIKeyZBOVTCPEQCKKKF-UHFFFAOYSA-N
MW188.40 g/mol
LogP5.52
Rot. Bonds4

About 2,3-dimethylheptane;ethane

2,3-dimethylheptane;ethane (PubChem CID 156648444) has the molecular formula C13H32 and a molecular weight of 188.40 g/mol. Its IUPAC name is 2,3-dimethylheptane;ethane.

Molecular Properties

Compound Name2,3-dimethylheptane;ethane
PubChem CID156648444
Molecular FormulaC13H32
Molecular Weight188.40 g/mol
Exact Mass188.25
IUPAC Name2,3-dimethylheptane;ethane
SMILESCC.CC.CCCCC(C)C(C)C
InChIInChI=1S/C9H20.2C2H6/c1-5-6-7-9(4)8(2)3;2*1-2/h8-9H,5-7H2,1-4H3;2*1-2H3
InChIKeyZBOVTCPEQCKKKF-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500188.40
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R)-2,3-dimethylheptane;ethane
CID 163241846
alumane;2,3-dimethylheptane
CID 174508099
2,3-dimethylnonacosane
CID 71331945
2,3,14,15-tetramethylhenicosane
CID 123460288
(3S)-2,3-dimethylnonane;methane
CID 159246988
(3S,7R)-2,3,7,8-tetramethylnonane
CID 153439349
5,6,14,15-tetramethylnonadecane
CID 123473711
6-ethyl-2,3-dimethyldecane
CID 57491764
butane;ethane;3-methylheptan-2-ol
CID 176696047
5-butyl-2,3-dimethylnonane
CID 123894711
(3R,4S)-2,3,4-trimethyltriacontane
CID 162967573
(5S,6R)-2,5,6-trimethyldecane
CID 154723790

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylheptane;ethane?
The IUPAC name of 2,3-dimethylheptane;ethane (CID 156648444) is 2,3-dimethylheptane;ethane.
What is the SMILES notation for 2,3-dimethylheptane;ethane?
The canonical SMILES for 2,3-dimethylheptane;ethane is CC.CC.CCCCC(C)C(C)C.
What is the InChIKey of 2,3-dimethylheptane;ethane?
The InChIKey is ZBOVTCPEQCKKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.2C2H6/c1-5-6-7-9(4)8(2)3;2*1-2/h8-9H,5-7H2,1-4H3;2*1-2H3.
What are the key properties of 2,3-dimethylheptane;ethane?
2,3-dimethylheptane;ethane has a molecular weight of 188.40 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylheptane;ethane is sourced from PubChem (CID 156648444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).