3-ethyl-2-methyldodec-1-ene

C15H30 — CID 174845873

IUPAC3-ethyl-2-methyldodec-1-ene
SMILESC=C(C)C(CC)CCCCCCCCC
InChIInChI=1S/C15H30/c1-5-7-8-9-10-11-12-13-15(6-2)14(3)4/h15H,3,5-13H2,1-2,4H3
InChIKeyAWVHZLGSSWQQBX-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.73
Rot. Bonds10

About 3-ethyl-2-methyldodec-1-ene

3-ethyl-2-methyldodec-1-ene (PubChem CID 174845873) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 3-ethyl-2-methyldodec-1-ene.

Molecular Properties

Compound Name3-ethyl-2-methyldodec-1-ene
PubChem CID174845873
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name3-ethyl-2-methyldodec-1-ene
SMILESC=C(C)C(CC)CCCCCCCCC
InChIInChI=1S/C15H30/c1-5-7-8-9-10-11-12-13-15(6-2)14(3)4/h15H,3,5-13H2,1-2,4H3
InChIKeyAWVHZLGSSWQQBX-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.73
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

3-ethyl-2,7-dimethyloct-1-ene
CID 123570593
3-ethyl-2-methylideneundecanoic acid
CID 87290389
7,10-diethylhexadecane-8,9-dione
CID 150805323
decane;2-methyl-4-nonyltetradec-1-en-3-one
CID 160597515
2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(4S)-4-ethyldecan-3-one
CID 134895926
(2R)-2-ethyldodecanoic acid
CID 98093060
3-ethyl-2-hexan-2-yloxynon-1-ene
CID 87707637
2-ethyl-N-methyltetradecanamide
CID 161072731
5-ethylpentadecane-2,4-dione
CID 11715963
5-(2-methylpent-1-en-3-yl)undecane
CID 123769416
3-pentylnonan-2-one
CID 21290467

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyldodec-1-ene?
The IUPAC name of 3-ethyl-2-methyldodec-1-ene (CID 174845873) is 3-ethyl-2-methyldodec-1-ene.
What is the SMILES notation for 3-ethyl-2-methyldodec-1-ene?
The canonical SMILES for 3-ethyl-2-methyldodec-1-ene is C=C(C)C(CC)CCCCCCCCC.
What is the InChIKey of 3-ethyl-2-methyldodec-1-ene?
The InChIKey is AWVHZLGSSWQQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-5-7-8-9-10-11-12-13-15(6-2)14(3)4/h15H,3,5-13H2,1-2,4H3.
What are the key properties of 3-ethyl-2-methyldodec-1-ene?
3-ethyl-2-methyldodec-1-ene has a molecular weight of 210.40 g/mol, XLogP of 5.73, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyldodec-1-ene is sourced from PubChem (CID 174845873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).