ethane;(3R)-3-ethyl-2-methylheptane

C12H28 — CID 166461427

IUPACethane;(3R)-3-ethyl-2-methylheptane
SMILESCC.CCCC[C@@H](CC)C(C)C
InChIInChI=1S/C10H22.C2H6/c1-5-7-8-10(6-2)9(3)4;1-2/h9-10H,5-8H2,1-4H3;1-2H3/t10-;/m1./s1
InChIKeyVWQVCVBJXVKDSS-HNCPQSOCSA-N
MW172.36 g/mol
LogP4.89
Rot. Bonds5

About ethane;(3R)-3-ethyl-2-methylheptane

ethane;(3R)-3-ethyl-2-methylheptane (PubChem CID 166461427) has the molecular formula C12H28 and a molecular weight of 172.36 g/mol. Its IUPAC name is ethane;(3R)-3-ethyl-2-methylheptane.

Molecular Properties

Compound Nameethane;(3R)-3-ethyl-2-methylheptane
PubChem CID166461427
Molecular FormulaC12H28
Molecular Weight172.36 g/mol
Exact Mass172.22
IUPAC Nameethane;(3R)-3-ethyl-2-methylheptane
SMILESCC.CCCC[C@@H](CC)C(C)C
InChIInChI=1S/C10H22.C2H6/c1-5-7-8-10(6-2)9(3)4;1-2/h9-10H,5-8H2,1-4H3;1-2H3/t10-;/m1./s1
InChIKeyVWQVCVBJXVKDSS-HNCPQSOCSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-2-methyl-7-propan-2-yldecane
CID 58999360
(3R)-3-ethyl-2-methylhexane
CID 59954424
4-ethyl-1-iodo-5-methylhexane
CID 118326959
4,5-diethylnonane
CID 21188862
4-ethyl-5-methylhexan-1-ol
CID 87192920
3-ethylheptan-2-amine
CID 61000696
8-propan-2-ylpentadecane
CID 153475308
3-(dibromomethyl)heptane
CID 87164380
5,6-diethyldodecane
CID 90761715
6-propan-2-yltridecane
CID 123704479
benzene;ethane;tris(3-ethyl-2-methylheptane);tris(2-methylundecane);naphthalene
CID 158074391
5-ethyl-6-methylheptan-1-ol
CID 91402591

Frequently Asked Questions

What is the IUPAC name of ethane;(3R)-3-ethyl-2-methylheptane?
The IUPAC name of ethane;(3R)-3-ethyl-2-methylheptane (CID 166461427) is ethane;(3R)-3-ethyl-2-methylheptane.
What is the SMILES notation for ethane;(3R)-3-ethyl-2-methylheptane?
The canonical SMILES for ethane;(3R)-3-ethyl-2-methylheptane is CC.CCCC[C@@H](CC)C(C)C.
What is the InChIKey of ethane;(3R)-3-ethyl-2-methylheptane?
The InChIKey is VWQVCVBJXVKDSS-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H22.C2H6/c1-5-7-8-10(6-2)9(3)4;1-2/h9-10H,5-8H2,1-4H3;1-2H3/t10-;/m1./s1.
What are the key properties of ethane;(3R)-3-ethyl-2-methylheptane?
ethane;(3R)-3-ethyl-2-methylheptane has a molecular weight of 172.36 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3R)-3-ethyl-2-methylheptane is sourced from PubChem (CID 166461427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).