(4S)-3-methyl-4-propan-2-ylheptane

C11H24 — CID 59076556

IUPAC(4S)-3-methyl-4-propan-2-ylheptane
SMILESCCC[C@@H](C(C)C)C(C)CC
InChIInChI=1S/C11H24/c1-6-8-11(9(3)4)10(5)7-2/h9-11H,6-8H2,1-5H3/t10?,11-/m0/s1
InChIKeySRECVVXQFXRBNI-DTIOYNMSSA-N
MW156.31 g/mol
LogP4.10
Rot. Bonds5

About (4S)-3-methyl-4-propan-2-ylheptane

(4S)-3-methyl-4-propan-2-ylheptane (PubChem CID 59076556) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is (4S)-3-methyl-4-propan-2-ylheptane.

Molecular Properties

Compound Name(4S)-3-methyl-4-propan-2-ylheptane
PubChem CID59076556
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Name(4S)-3-methyl-4-propan-2-ylheptane
SMILESCCC[C@@H](C(C)C)C(C)CC
InChIInChI=1S/C11H24/c1-6-8-11(9(3)4)10(5)7-2/h9-11H,6-8H2,1-5H3/t10?,11-/m0/s1
InChIKeySRECVVXQFXRBNI-DTIOYNMSSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;(3S,4R)-3-methyl-4-propan-2-ylheptane
CID 159506310
(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
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
3,3,4-trimethyl-5-propan-2-yloctane
CID 57492714
5-propan-2-yloctan-4-ol
CID 23385171
4-methanidyl-5-propan-2-yloctane
CID 90920919

Frequently Asked Questions

What is the IUPAC name of (4S)-3-methyl-4-propan-2-ylheptane?
The IUPAC name of (4S)-3-methyl-4-propan-2-ylheptane (CID 59076556) is (4S)-3-methyl-4-propan-2-ylheptane.
What is the SMILES notation for (4S)-3-methyl-4-propan-2-ylheptane?
The canonical SMILES for (4S)-3-methyl-4-propan-2-ylheptane is CCC[C@@H](C(C)C)C(C)CC.
What is the InChIKey of (4S)-3-methyl-4-propan-2-ylheptane?
The InChIKey is SRECVVXQFXRBNI-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H24/c1-6-8-11(9(3)4)10(5)7-2/h9-11H,6-8H2,1-5H3/t10?,11-/m0/s1.
What are the key properties of (4S)-3-methyl-4-propan-2-ylheptane?
(4S)-3-methyl-4-propan-2-ylheptane has a molecular weight of 156.31 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-methyl-4-propan-2-ylheptane is sourced from PubChem (CID 59076556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).