(E)-4-methylicos-2-ene

C21H42 — CID 166512402

IUPAC(E)-4-methylicos-2-ene
SMILESC/C=C/C(C)CCCCCCCCCCCCCCCC
InChIInChI=1S/C21H42/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(3)19-5-2/h5,19,21H,4,6-18,20H2,1-3H3/b19-5+
InChIKeyBMEZPCUIROSREN-PTXOJBNSSA-N
MW294.57 g/mol
LogP8.07
Rot. Bonds16

About (E)-4-methylicos-2-ene

(E)-4-methylicos-2-ene (PubChem CID 166512402) has the molecular formula C21H42 and a molecular weight of 294.57 g/mol. Its IUPAC name is (E)-4-methylicos-2-ene.

Molecular Properties

Compound Name(E)-4-methylicos-2-ene
PubChem CID166512402
Molecular FormulaC21H42
Molecular Weight294.57 g/mol
Exact Mass294.33
IUPAC Name(E)-4-methylicos-2-ene
SMILESC/C=C/C(C)CCCCCCCCCCCCCCCC
InChIInChI=1S/C21H42/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(3)19-5-2/h5,19,21H,4,6-18,20H2,1-3H3/b19-5+
InChIKeyBMEZPCUIROSREN-PTXOJBNSSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.57
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-methyloct-2-ene
CID 528286
(Z)-4-methylhept-2-ene
CID 5352649
(E)-5-methyldodec-3-ene
CID 173194511
(E)-7-methyldec-8-en-1-ol
CID 87112464
(E,11S)-11-methyltricos-9-ene
CID 163215390
(E)-10-methylheptadec-8-ene
CID 10923034
7-methylhexadec-5-ene
CID 150059561
5-prop-1-enyltridecane
CID 57064303
6-[(E)-prop-1-enyl]undecane
CID 134941128
(Z)-undec-2-en-4-ol
CID 14320443
(E)-4-chloroundec-2-ene
CID 88753287
4,8-dimethyldec-2-ene
CID 123622990

Frequently Asked Questions

What is the IUPAC name of (E)-4-methylicos-2-ene?
The IUPAC name of (E)-4-methylicos-2-ene (CID 166512402) is (E)-4-methylicos-2-ene.
What is the SMILES notation for (E)-4-methylicos-2-ene?
The canonical SMILES for (E)-4-methylicos-2-ene is C/C=C/C(C)CCCCCCCCCCCCCCCC.
What is the InChIKey of (E)-4-methylicos-2-ene?
The InChIKey is BMEZPCUIROSREN-PTXOJBNSSA-N. The full InChI is InChI=1S/C21H42/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(3)19-5-2/h5,19,21H,4,6-18,20H2,1-3H3/b19-5+.
What are the key properties of (E)-4-methylicos-2-ene?
(E)-4-methylicos-2-ene has a molecular weight of 294.57 g/mol, XLogP of 8.07, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylicos-2-ene is sourced from PubChem (CID 166512402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).