methane;(3S,4R)-3-methyl-4-propan-2-ylheptane

C12H28 — CID 159506310

IUPACmethane;(3S,4R)-3-methyl-4-propan-2-ylheptane
SMILESC.CCC[C@H](C(C)C)[C@@H](C)CC
InChIInChI=1S/C11H24.CH4/c1-6-8-11(9(3)4)10(5)7-2;/h9-11H,6-8H2,1-5H3;1H4/t10-,11+;/m0./s1
InChIKeyMAAOLJUQLUTXCR-VZXYPILPSA-N
MW172.36 g/mol
LogP4.74
Rot. Bonds5

About methane;(3S,4R)-3-methyl-4-propan-2-ylheptane

methane;(3S,4R)-3-methyl-4-propan-2-ylheptane (PubChem CID 159506310) has the molecular formula C12H28 and a molecular weight of 172.36 g/mol. Its IUPAC name is methane;(3S,4R)-3-methyl-4-propan-2-ylheptane.

Molecular Properties

Compound Namemethane;(3S,4R)-3-methyl-4-propan-2-ylheptane
PubChem CID159506310
Molecular FormulaC12H28
Molecular Weight172.36 g/mol
Exact Mass172.22
IUPAC Namemethane;(3S,4R)-3-methyl-4-propan-2-ylheptane
SMILESC.CCC[C@H](C(C)C)[C@@H](C)CC
InChIInChI=1S/C11H24.CH4/c1-6-8-11(9(3)4)10(5)7-2;/h9-11H,6-8H2,1-5H3;1H4/t10-,11+;/m0./s1
InChIKeyMAAOLJUQLUTXCR-VZXYPILPSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556
(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
3,4,6,7-tetramethyl-5-propylnonane
CID 91018101
4-ethyl-5,7-dimethyl-8-propan-2-ylundecane
CID 91173355
3-ethyl-2,4-dimethylpentane;methane;2-methylpentane
CID 158735959
5-methyl-4-propan-2-yltetradecane
CID 123996280
4,5,7-triethyl-3-methyl-6-propyldecane
CID 91308748
(3S)-4-propan-2-ylheptan-3-ol
CID 59039542
(3R)-3,4-dimethylheptane
CID 59819300
2-bromo-3-propan-2-ylhexane
CID 63472075
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
3,3,4-trimethyl-5-propan-2-yloctane
CID 57492714

Frequently Asked Questions

What is the IUPAC name of methane;(3S,4R)-3-methyl-4-propan-2-ylheptane?
The IUPAC name of methane;(3S,4R)-3-methyl-4-propan-2-ylheptane (CID 159506310) is methane;(3S,4R)-3-methyl-4-propan-2-ylheptane.
What is the SMILES notation for methane;(3S,4R)-3-methyl-4-propan-2-ylheptane?
The canonical SMILES for methane;(3S,4R)-3-methyl-4-propan-2-ylheptane is C.CCC[C@H](C(C)C)[C@@H](C)CC.
What is the InChIKey of methane;(3S,4R)-3-methyl-4-propan-2-ylheptane?
The InChIKey is MAAOLJUQLUTXCR-VZXYPILPSA-N. The full InChI is InChI=1S/C11H24.CH4/c1-6-8-11(9(3)4)10(5)7-2;/h9-11H,6-8H2,1-5H3;1H4/t10-,11+;/m0./s1.
What are the key properties of methane;(3S,4R)-3-methyl-4-propan-2-ylheptane?
methane;(3S,4R)-3-methyl-4-propan-2-ylheptane has a molecular weight of 172.36 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(3S,4R)-3-methyl-4-propan-2-ylheptane is sourced from PubChem (CID 159506310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).