(3R)-2,3-dimethylheptane;ethane

C11H26 — CID 163241846

IUPAC(3R)-2,3-dimethylheptane;ethane
SMILESCC.CCCC[C@@H](C)C(C)C
InChIInChI=1S/C9H20.C2H6/c1-5-6-7-9(4)8(2)3;1-2/h8-9H,5-7H2,1-4H3;1-2H3/t9-;/m1./s1
InChIKeyMCYFOBNYNOSQRB-SBSPUUFOSA-N
MW158.33 g/mol
LogP4.49
Rot. Bonds4

About (3R)-2,3-dimethylheptane;ethane

(3R)-2,3-dimethylheptane;ethane (PubChem CID 163241846) has the molecular formula C11H26 and a molecular weight of 158.33 g/mol. Its IUPAC name is (3R)-2,3-dimethylheptane;ethane.

Molecular Properties

Compound Name(3R)-2,3-dimethylheptane;ethane
PubChem CID163241846
Molecular FormulaC11H26
Molecular Weight158.33 g/mol
Exact Mass158.20
IUPAC Name(3R)-2,3-dimethylheptane;ethane
SMILESCC.CCCC[C@@H](C)C(C)C
InChIInChI=1S/C9H20.C2H6/c1-5-6-7-9(4)8(2)3;1-2/h8-9H,5-7H2,1-4H3;1-2H3/t9-;/m1./s1
InChIKeyMCYFOBNYNOSQRB-SBSPUUFOSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dimethylheptane;ethane
CID 156648444
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 (3R)-2,3-dimethylheptane;ethane?
The IUPAC name of (3R)-2,3-dimethylheptane;ethane (CID 163241846) is (3R)-2,3-dimethylheptane;ethane.
What is the SMILES notation for (3R)-2,3-dimethylheptane;ethane?
The canonical SMILES for (3R)-2,3-dimethylheptane;ethane is CC.CCCC[C@@H](C)C(C)C.
What is the InChIKey of (3R)-2,3-dimethylheptane;ethane?
The InChIKey is MCYFOBNYNOSQRB-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H20.C2H6/c1-5-6-7-9(4)8(2)3;1-2/h8-9H,5-7H2,1-4H3;1-2H3/t9-;/m1./s1.
What are the key properties of (3R)-2,3-dimethylheptane;ethane?
(3R)-2,3-dimethylheptane;ethane has a molecular weight of 158.33 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,3-dimethylheptane;ethane is sourced from PubChem (CID 163241846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).