(5S)-3-ethyl-5-methylheptane

C10H22 — CID 59094044

IUPAC(5S)-3-ethyl-5-methylheptane
SMILESCCC(CC)C[C@@H](C)CC
InChIInChI=1S/C10H22/c1-5-9(4)8-10(6-2)7-3/h9-10H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyVXARVYMIZCGZGG-VIFPVBQESA-N
MW142.29 g/mol
LogP3.86
Rot. Bonds5

About (5S)-3-ethyl-5-methylheptane

(5S)-3-ethyl-5-methylheptane (PubChem CID 59094044) has the molecular formula C10H22 and a molecular weight of 142.29 g/mol. Its IUPAC name is (5S)-3-ethyl-5-methylheptane.

Molecular Properties

Compound Name(5S)-3-ethyl-5-methylheptane
PubChem CID59094044
Molecular FormulaC10H22
Molecular Weight142.29 g/mol
Exact Mass142.17
IUPAC Name(5S)-3-ethyl-5-methylheptane
SMILESCCC(CC)C[C@@H](C)CC
InChIInChI=1S/C10H22/c1-5-9(4)8-10(6-2)7-3/h9-10H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyVXARVYMIZCGZGG-VIFPVBQESA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-ethyl-2,5,9-trimethyl-3-propan-2-ylundecane
CID 143342749
3,5-dimethylheptane;ethane
CID 172617343
6-ethyl-2,3,8-trimethyldecane
CID 90730025
7-ethyl-3,5,9-trimethyldodecane
CID 123315944
(4S)-2,4-dimethylhexane
CID 22810193
N,3-diethyl-7-methylnonan-5-amine
CID 105028147
(4S)-1-hydroperoxy-2-(hydroperoxymethyl)-4-methylhexane
CID 59874861
(4R)-2,4-dimethylhexane;methane
CID 157133469
2,4-dimethylhexane;propane
CID 143348383
bis(4-ethyl-2-methylhexane);2-methylbutane
CID 161441490
5-ethyl-7-methylnonane-1,2-diol
CID 87744088
(2R,4R)-4-methyl-2-propylhexan-1-ol
CID 92950667

Frequently Asked Questions

What is the IUPAC name of (5S)-3-ethyl-5-methylheptane?
The IUPAC name of (5S)-3-ethyl-5-methylheptane (CID 59094044) is (5S)-3-ethyl-5-methylheptane.
What is the SMILES notation for (5S)-3-ethyl-5-methylheptane?
The canonical SMILES for (5S)-3-ethyl-5-methylheptane is CCC(CC)C[C@@H](C)CC.
What is the InChIKey of (5S)-3-ethyl-5-methylheptane?
The InChIKey is VXARVYMIZCGZGG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22/c1-5-9(4)8-10(6-2)7-3/h9-10H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of (5S)-3-ethyl-5-methylheptane?
(5S)-3-ethyl-5-methylheptane has a molecular weight of 142.29 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-ethyl-5-methylheptane is sourced from PubChem (CID 59094044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).