3-ethyl-2,5-dimethyl-4-propan-2-ylheptane

C14H30 — CID 57493037

IUPAC3-ethyl-2,5-dimethyl-4-propan-2-ylheptane
SMILESCCC(C)C(C(C)C)C(CC)C(C)C
InChIInChI=1S/C14H30/c1-8-12(7)14(11(5)6)13(9-2)10(3)4/h10-14H,8-9H2,1-7H3
InChIKeyUOBFLNFZTOWGRK-UHFFFAOYSA-N
MW198.39 g/mol
LogP4.99
Rot. Bonds6

About 3-ethyl-2,5-dimethyl-4-propan-2-ylheptane

3-ethyl-2,5-dimethyl-4-propan-2-ylheptane (PubChem CID 57493037) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 3-ethyl-2,5-dimethyl-4-propan-2-ylheptane.

Molecular Properties

Compound Name3-ethyl-2,5-dimethyl-4-propan-2-ylheptane
PubChem CID57493037
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name3-ethyl-2,5-dimethyl-4-propan-2-ylheptane
SMILESCCC(C)C(C(C)C)C(CC)C(C)C
InChIInChI=1S/C14H30/c1-8-12(7)14(11(5)6)13(9-2)10(3)4/h10-14H,8-9H2,1-7H3
InChIKeyUOBFLNFZTOWGRK-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.39
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane
CID 140704954
(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
4-butan-2-yl-2,3,5,6-tetramethylheptane
CID 123598520
3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane
CID 158873092
(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556
3-ethyl-N,2,4-trimethylpentan-1-amine
CID 123681641
methane;(3S,4R)-3-methyl-4-propan-2-ylheptane
CID 159506310
N,3,5-trimethyl-4-propan-2-ylheptan-1-imine
CID 123261638
3,5-dimethyl-4-propan-2-ylundecane
CID 123891253
7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane
CID 90819140
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5-dimethyl-4-propan-2-ylheptane?
The IUPAC name of 3-ethyl-2,5-dimethyl-4-propan-2-ylheptane (CID 57493037) is 3-ethyl-2,5-dimethyl-4-propan-2-ylheptane.
What is the SMILES notation for 3-ethyl-2,5-dimethyl-4-propan-2-ylheptane?
The canonical SMILES for 3-ethyl-2,5-dimethyl-4-propan-2-ylheptane is CCC(C)C(C(C)C)C(CC)C(C)C.
What is the InChIKey of 3-ethyl-2,5-dimethyl-4-propan-2-ylheptane?
The InChIKey is UOBFLNFZTOWGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-8-12(7)14(11(5)6)13(9-2)10(3)4/h10-14H,8-9H2,1-7H3.
What are the key properties of 3-ethyl-2,5-dimethyl-4-propan-2-ylheptane?
3-ethyl-2,5-dimethyl-4-propan-2-ylheptane has a molecular weight of 198.39 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5-dimethyl-4-propan-2-ylheptane is sourced from PubChem (CID 57493037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).