4-ethylidene-3-methyloctane

C11H22 — CID 90798217

IUPAC4-ethylidene-3-methyloctane
SMILESCC=C(CCCC)C(C)CC
InChIInChI=1S/C11H22/c1-5-8-9-11(7-3)10(4)6-2/h7,10H,5-6,8-9H2,1-4H3
InChIKeyKJOBFPCJKKEIOP-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.17
Rot. Bonds5

About 4-ethylidene-3-methyloctane

4-ethylidene-3-methyloctane (PubChem CID 90798217) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 4-ethylidene-3-methyloctane.

Molecular Properties

Compound Name4-ethylidene-3-methyloctane
PubChem CID90798217
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name4-ethylidene-3-methyloctane
SMILESCC=C(CCCC)C(C)CC
InChIInChI=1S/C11H22/c1-5-8-9-11(7-3)10(4)6-2/h7,10H,5-6,8-9H2,1-4H3
InChIKeyKJOBFPCJKKEIOP-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.17
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

(4Z)-4-ethylidene-5-methylnonane
CID 142307818
(13Z)-13-ethylidene-12-methylheptadecan-1-amine
CID 146337123
9-ethyl-5-ethylidene-2,4-dimethyltridecane
CID 123664205
(E,8Z)-8-ethylidene-7-methyltridec-4-ene
CID 143721340
(5E)-5-ethylidene-2-methyl-4-propan-2-ylnonane
CID 144924130
(5E)-2-butan-2-ylsulfanyl-5-ethylidene-6-methyloctane
CID 89281037
6-ethyl-5-ethylidene-7-propyltridecane
CID 123635810
(Z)-5-methyl-4-propylhept-3-ene
CID 145358469
[(Z)-2-butan-2-yl-6-methylhept-1-enyl]hydrazine
CID 142523149
(E)-3-propan-2-ylhex-2-ene
CID 142020071
2-ethylidenepentane-1,1-diol
CID 174458356
4-methyl-3-methylsulfanyloct-2-ene
CID 123700850

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-3-methyloctane?
The IUPAC name of 4-ethylidene-3-methyloctane (CID 90798217) is 4-ethylidene-3-methyloctane.
What is the SMILES notation for 4-ethylidene-3-methyloctane?
The canonical SMILES for 4-ethylidene-3-methyloctane is CC=C(CCCC)C(C)CC.
What is the InChIKey of 4-ethylidene-3-methyloctane?
The InChIKey is KJOBFPCJKKEIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-5-8-9-11(7-3)10(4)6-2/h7,10H,5-6,8-9H2,1-4H3.
What are the key properties of 4-ethylidene-3-methyloctane?
4-ethylidene-3-methyloctane has a molecular weight of 154.30 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-3-methyloctane is sourced from PubChem (CID 90798217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).