4-ethyl-4-methyl-5-propan-2-yloct-1-ene

C14H28 — CID 123477020

IUPAC4-ethyl-4-methyl-5-propan-2-yloct-1-ene
SMILESC=CCC(C)(CC)C(CCC)C(C)C
InChIInChI=1S/C14H28/c1-7-10-13(12(4)5)14(6,9-3)11-8-2/h8,12-13H,2,7,9-11H2,1,3-6H3
InChIKeyNFUSAGKRPJPDQX-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.05
Rot. Bonds7

About 4-ethyl-4-methyl-5-propan-2-yloct-1-ene

4-ethyl-4-methyl-5-propan-2-yloct-1-ene (PubChem CID 123477020) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 4-ethyl-4-methyl-5-propan-2-yloct-1-ene.

Molecular Properties

Compound Name4-ethyl-4-methyl-5-propan-2-yloct-1-ene
PubChem CID123477020
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name4-ethyl-4-methyl-5-propan-2-yloct-1-ene
SMILESC=CCC(C)(CC)C(CCC)C(C)C
InChIInChI=1S/C14H28/c1-7-10-13(12(4)5)14(6,9-3)11-8-2/h8,12-13H,2,7,9-11H2,1,3-6H3
InChIKeyNFUSAGKRPJPDQX-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-2-methyl-3-(trifluoromethyl)hexane
CID 122598619
4-ethyl-3,4-dimethylhex-1-ene
CID 19044878
4,4-diethyl-5-methylhex-1-ene
CID 23384984
4-ethyl-4,8-dimethylnon-1-ene
CID 23657619
4,4-dimethylpent-1-ene;3,3,4-trimethylhexane
CID 153402313
5-tert-butyl-4,6-dimethylnonane
CID 91526510
4,4,7-trimethylundec-1-ene
CID 143332601
5-ethyl-2,5-dimethyl-4-propylheptane
CID 19848557
(3R)-3-ethyl-2-methylhex-5-en-3-ol
CID 59911066
4-methyl-4-propylhept-1-ene
CID 139926982
2-ethyl-2,3-dimethyl-N-propylhexan-1-amine
CID 107897400
1,2-dimethyl-1-(3-methyl-4-propan-2-ylheptan-3-yl)cyclopropane
CID 123700647

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-5-propan-2-yloct-1-ene?
The IUPAC name of 4-ethyl-4-methyl-5-propan-2-yloct-1-ene (CID 123477020) is 4-ethyl-4-methyl-5-propan-2-yloct-1-ene.
What is the SMILES notation for 4-ethyl-4-methyl-5-propan-2-yloct-1-ene?
The canonical SMILES for 4-ethyl-4-methyl-5-propan-2-yloct-1-ene is C=CCC(C)(CC)C(CCC)C(C)C.
What is the InChIKey of 4-ethyl-4-methyl-5-propan-2-yloct-1-ene?
The InChIKey is NFUSAGKRPJPDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-7-10-13(12(4)5)14(6,9-3)11-8-2/h8,12-13H,2,7,9-11H2,1,3-6H3.
What are the key properties of 4-ethyl-4-methyl-5-propan-2-yloct-1-ene?
4-ethyl-4-methyl-5-propan-2-yloct-1-ene has a molecular weight of 196.38 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-5-propan-2-yloct-1-ene is sourced from PubChem (CID 123477020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).