(4Z)-4-ethylidene-5-methylnonane

C12H24 — CID 142307818

IUPAC(4Z)-4-ethylidene-5-methylnonane
SMILESC/C=C(/CCC)C(C)CCCC
InChIInChI=1S/C12H24/c1-5-8-10-11(4)12(7-3)9-6-2/h7,11H,5-6,8-10H2,1-4H3/b12-7-
InChIKeyHOQLFNRETJDOIA-GHXNOFRVSA-N
MW168.32 g/mol
LogP4.56
Rot. Bonds6

About (4Z)-4-ethylidene-5-methylnonane

(4Z)-4-ethylidene-5-methylnonane (PubChem CID 142307818) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is (4Z)-4-ethylidene-5-methylnonane.

Molecular Properties

Compound Name(4Z)-4-ethylidene-5-methylnonane
PubChem CID142307818
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name(4Z)-4-ethylidene-5-methylnonane
SMILESC/C=C(/CCC)C(C)CCCC
InChIInChI=1S/C12H24/c1-5-8-10-11(4)12(7-3)9-6-2/h7,11H,5-6,8-10H2,1-4H3/b12-7-
InChIKeyHOQLFNRETJDOIA-GHXNOFRVSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.56
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

(13Z)-13-ethylidene-12-methylheptadecan-1-amine
CID 146337123
4-ethylidene-3-methyloctane
CID 90798217
4-methyl-3-methylsulfanyloct-2-ene
CID 123700850
(E)-3-propan-2-ylhex-2-ene
CID 142020071
2-ethylidenepentane-1,1-diol
CID 174458356
9-ethyl-5-ethylidene-2,4-dimethyltridecane
CID 123664205
CID 172720711
CID 172720711
bis(2-methylhexanethioate);nickel(2+)
CID 21499168
5,6-dimethyldeca-2,4-diene
CID 91470784
(3Z,5Z,6R)-5-ethylidene-6-methyldeca-1,3-diene
CID 144579667
(2R)-2-methylhexanoate
CID 6999857
(4R)-4-methyl-3-methylideneoctane
CID 10820618

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylidene-5-methylnonane?
The IUPAC name of (4Z)-4-ethylidene-5-methylnonane (CID 142307818) is (4Z)-4-ethylidene-5-methylnonane.
What is the SMILES notation for (4Z)-4-ethylidene-5-methylnonane?
The canonical SMILES for (4Z)-4-ethylidene-5-methylnonane is C/C=C(/CCC)C(C)CCCC.
What is the InChIKey of (4Z)-4-ethylidene-5-methylnonane?
The InChIKey is HOQLFNRETJDOIA-GHXNOFRVSA-N. The full InChI is InChI=1S/C12H24/c1-5-8-10-11(4)12(7-3)9-6-2/h7,11H,5-6,8-10H2,1-4H3/b12-7-.
What are the key properties of (4Z)-4-ethylidene-5-methylnonane?
(4Z)-4-ethylidene-5-methylnonane has a molecular weight of 168.32 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidene-5-methylnonane is sourced from PubChem (CID 142307818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).