6-ethyl-2,4,5-trimethyl-3-methylideneoctane

C14H28 — CID 123704785

IUPAC6-ethyl-2,4,5-trimethyl-3-methylideneoctane
SMILESC=C(C(C)C)C(C)C(C)C(CC)CC
InChIInChI=1S/C14H28/c1-8-14(9-2)13(7)12(6)11(5)10(3)4/h10,12-14H,5,8-9H2,1-4,6-7H3
InChIKeyQCOCLISZYIIFON-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.91
Rot. Bonds6

About 6-ethyl-2,4,5-trimethyl-3-methylideneoctane

6-ethyl-2,4,5-trimethyl-3-methylideneoctane (PubChem CID 123704785) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 6-ethyl-2,4,5-trimethyl-3-methylideneoctane.

Molecular Properties

Compound Name6-ethyl-2,4,5-trimethyl-3-methylideneoctane
PubChem CID123704785
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name6-ethyl-2,4,5-trimethyl-3-methylideneoctane
SMILESC=C(C(C)C)C(C)C(C)C(CC)CC
InChIInChI=1S/C14H28/c1-8-14(9-2)13(7)12(6)11(5)10(3)4/h10,12-14H,5,8-9H2,1-4,6-7H3
InChIKeyQCOCLISZYIIFON-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.91
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

2,4-dimethyl-3-methylidenehexane
CID 90734956
(3R)-2,3,5-trimethyl-4-methylidenehexane
CID 58859453
5-ethyl-2,3,4-trimethylheptane
CID 53428868
3,7-diethyl-5-methyl-4,6-di(pentan-3-yl)nonane
CID 165016406
5-ethyl-2,4-dimethylhept-1-ene
CID 90728218
5-ethyl-3,4-dimethylheptan-2-amine
CID 146192977
4-chloro-2-methyl-3-methylideneheptane
CID 56988326
N,3,5-trimethyl-4-methylidene-N-propan-2-ylhexan-2-amine
CID 139294846
3,4,5,7,8,10-hexamethyl-6-(3-methylbutan-2-yl)-9-methylidenedodec-4-ene
CID 123222087
(4S)-2,3,4-trimethylhex-1-ene
CID 169204479
(4R)-3-ethyl-4-methylhexane
CID 59954491
6-ethyl-3-methyl-5-methylideneoctan-4-amine
CID 142201101

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,4,5-trimethyl-3-methylideneoctane?
The IUPAC name of 6-ethyl-2,4,5-trimethyl-3-methylideneoctane (CID 123704785) is 6-ethyl-2,4,5-trimethyl-3-methylideneoctane.
What is the SMILES notation for 6-ethyl-2,4,5-trimethyl-3-methylideneoctane?
The canonical SMILES for 6-ethyl-2,4,5-trimethyl-3-methylideneoctane is C=C(C(C)C)C(C)C(C)C(CC)CC.
What is the InChIKey of 6-ethyl-2,4,5-trimethyl-3-methylideneoctane?
The InChIKey is QCOCLISZYIIFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-8-14(9-2)13(7)12(6)11(5)10(3)4/h10,12-14H,5,8-9H2,1-4,6-7H3.
What are the key properties of 6-ethyl-2,4,5-trimethyl-3-methylideneoctane?
6-ethyl-2,4,5-trimethyl-3-methylideneoctane has a molecular weight of 196.38 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,4,5-trimethyl-3-methylideneoctane is sourced from PubChem (CID 123704785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).