(E)-2-methylhept-3-ene

C8H16 — CID 5357255

IUPAC(E)-2-methylhept-3-ene
SMILESCCC/C=C/C(C)C
InChIInChI=1S/C8H16/c1-4-5-6-7-8(2)3/h6-8H,4-5H2,1-3H3/b7-6+
InChIKeyCYEZJYAMLNTSKN-VOTSOKGWSA-N
MW112.22 g/mol
LogP3.00
Rot. Bonds3

About (E)-2-methylhept-3-ene

(E)-2-methylhept-3-ene (PubChem CID 5357255) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is (E)-2-methylhept-3-ene.

Molecular Properties

Compound Name(E)-2-methylhept-3-ene
PubChem CID5357255
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name(E)-2-methylhept-3-ene
SMILESCCC/C=C/C(C)C
InChIInChI=1S/C8H16/c1-4-5-6-7-8(2)3/h6-8H,4-5H2,1-3H3/b7-6+
InChIKeyCYEZJYAMLNTSKN-VOTSOKGWSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 53.00
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

Myrcene
CID 31253
2-Octene
CID 5364448
beta-Farnesene
CID 5281517
4-Methyl-2-pentene, (2Z)-
CID 5326159
Dihydromyrcene
CID 17090
1,5,9-Cyclododecatriene
CID 12668
Dihydromyrcene, (+)-
CID 10887985
Pentylene
CID 32932
1-Pentene 2-pentene
CID 19097016
2,3-Dimethyl-1,4-hexadiene
CID 5368910
trans-5-Decene
CID 637820
cis-2-Octene
CID 5356796

Frequently Asked Questions

What is the IUPAC name of (E)-2-methylhept-3-ene?
The IUPAC name of (E)-2-methylhept-3-ene (CID 5357255) is (E)-2-methylhept-3-ene.
What is the SMILES notation for (E)-2-methylhept-3-ene?
The canonical SMILES for (E)-2-methylhept-3-ene is CCC/C=C/C(C)C.
What is the InChIKey of (E)-2-methylhept-3-ene?
The InChIKey is CYEZJYAMLNTSKN-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h6-8H,4-5H2,1-3H3/b7-6+.
What are the key properties of (E)-2-methylhept-3-ene?
(E)-2-methylhept-3-ene has a molecular weight of 112.22 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylhept-3-ene is sourced from PubChem (CID 5357255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).