ethane;2-methylhept-1-ene

C14H34 — CID 143682307

IUPACethane;2-methylhept-1-ene
SMILESC=C(C)CCCCC.CC.CC.CC
InChIInChI=1S/C8H16.3C2H6/c1-4-5-6-7-8(2)3;3*1-2/h2,4-7H2,1,3H3;3*1-2H3
InChIKeyAISZBERKTZNJMB-UHFFFAOYSA-N
MW202.43 g/mol
LogP6.22
Rot. Bonds4

About ethane;2-methylhept-1-ene

ethane;2-methylhept-1-ene (PubChem CID 143682307) has the molecular formula C14H34 and a molecular weight of 202.43 g/mol. Its IUPAC name is ethane;2-methylhept-1-ene.

Molecular Properties

Compound Nameethane;2-methylhept-1-ene
PubChem CID143682307
Molecular FormulaC14H34
Molecular Weight202.43 g/mol
Exact Mass202.27
IUPAC Nameethane;2-methylhept-1-ene
SMILESC=C(C)CCCCC.CC.CC.CC
InChIInChI=1S/C8H16.3C2H6/c1-4-5-6-7-8(2)3;3*1-2/h2,4-7H2,1,3H3;3*1-2H3
InChIKeyAISZBERKTZNJMB-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.43
LogP ≤ 56.22
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

ethane;2-methyloct-1-ene
CID 143077596
ethane;2-methyloct-1-ene;propane
CID 177190898
2-methyltetradec-1-ene
CID 521375
2-methylhex-1-ene
CID 158402499
2,20-dimethylhenicosa-1,20-diene;ethane;propane
CID 156639867
ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene
CID 143703494
N-(6-methylhept-6-enyl)-N-propyloctan-1-amine
CID 167036910
8-heptoxy-2-methyloct-1-ene
CID 59205550
1-(8-methylnon-8-enoxy)dodecane
CID 10520052
2,7-dimethylocta-1,7-diene;hydron
CID 174323451
2,14-dimethylpentadeca-1,14-diene
CID 123962057
2,10,11-trimethylicos-1-ene
CID 123857380

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylhept-1-ene?
The IUPAC name of ethane;2-methylhept-1-ene (CID 143682307) is ethane;2-methylhept-1-ene.
What is the SMILES notation for ethane;2-methylhept-1-ene?
The canonical SMILES for ethane;2-methylhept-1-ene is C=C(C)CCCCC.CC.CC.CC.
What is the InChIKey of ethane;2-methylhept-1-ene?
The InChIKey is AISZBERKTZNJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.3C2H6/c1-4-5-6-7-8(2)3;3*1-2/h2,4-7H2,1,3H3;3*1-2H3.
What are the key properties of ethane;2-methylhept-1-ene?
ethane;2-methylhept-1-ene has a molecular weight of 202.43 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylhept-1-ene is sourced from PubChem (CID 143682307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).