(3E)-3-ethylidene-2-methylhex-1-ene

C9H16 — CID 143524978

IUPAC(3E)-3-ethylidene-2-methylhex-1-ene
SMILESC=C(C)/C(=C/C)CCC
InChIInChI=1S/C9H16/c1-5-7-9(6-2)8(3)4/h6H,3,5,7H2,1-2,4H3/b9-6+
InChIKeyUZXALKWDLGYZQB-RMKNXTFCSA-N
MW124.23 g/mol
LogP3.31
Rot. Bonds3

About (3E)-3-ethylidene-2-methylhex-1-ene

(3E)-3-ethylidene-2-methylhex-1-ene (PubChem CID 143524978) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (3E)-3-ethylidene-2-methylhex-1-ene.

Molecular Properties

Compound Name(3E)-3-ethylidene-2-methylhex-1-ene
PubChem CID143524978
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(3E)-3-ethylidene-2-methylhex-1-ene
SMILESC=C(C)/C(=C/C)CCC
InChIInChI=1S/C9H16/c1-5-7-9(6-2)8(3)4/h6H,3,5,7H2,1-2,4H3/b9-6+
InChIKeyUZXALKWDLGYZQB-RMKNXTFCSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z,5Z)-5-ethylidene-4-methylideneoct-2-ene
CID 166467413
(2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene
CID 171555067
(Z)-5-prop-1-en-2-ylnon-4-ene
CID 177440529
methane;2-methylpent-1-ene;bis(prop-1-ene)
CID 159090973
ethane;ethene;(Z)-6-prop-1-en-2-yloct-6-en-4-ol
CID 143267708
ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
CID 143333904
(3Z)-2-methyl-3-pent-1-en-2-ylsulfanylpenta-1,3-diene
CID 174329664
(Z)-3-methyl-4-methylideneoct-2-ene
CID 121232770
magnesium bis(2-ethylidenepentanoate)
CID 156698834
methane;hexakis(2-methylpent-1-ene)
CID 175346690
2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid
CID 91478998
ethane;ethene;(3E,5E,7E)-6-methyl-5-prop-1-en-2-yl-4-propylnona-1,3,5,7-tetraene;prop-1-ene
CID 143912708

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylidene-2-methylhex-1-ene?
The IUPAC name of (3E)-3-ethylidene-2-methylhex-1-ene (CID 143524978) is (3E)-3-ethylidene-2-methylhex-1-ene.
What is the SMILES notation for (3E)-3-ethylidene-2-methylhex-1-ene?
The canonical SMILES for (3E)-3-ethylidene-2-methylhex-1-ene is C=C(C)/C(=C/C)CCC.
What is the InChIKey of (3E)-3-ethylidene-2-methylhex-1-ene?
The InChIKey is UZXALKWDLGYZQB-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H16/c1-5-7-9(6-2)8(3)4/h6H,3,5,7H2,1-2,4H3/b9-6+.
What are the key properties of (3E)-3-ethylidene-2-methylhex-1-ene?
(3E)-3-ethylidene-2-methylhex-1-ene has a molecular weight of 124.23 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-2-methylhex-1-ene is sourced from PubChem (CID 143524978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).