ethane;2-methyloct-1-ene;propane

C14H32 — CID 177190898

IUPACethane;2-methyloct-1-ene;propane
SMILESC=C(C)CCCCCC.CC.CCC
InChIInChI=1S/C9H18.C3H8.C2H6/c1-4-5-6-7-8-9(2)3;1-3-2;1-2/h2,4-8H2,1,3H3;3H2,1-2H3;1-2H3
InChIKeyRTHPKVFZPGTJCW-UHFFFAOYSA-N
MW200.41 g/mol
LogP5.98
Rot. Bonds5

About ethane;2-methyloct-1-ene;propane

ethane;2-methyloct-1-ene;propane (PubChem CID 177190898) has the molecular formula C14H32 and a molecular weight of 200.41 g/mol. Its IUPAC name is ethane;2-methyloct-1-ene;propane.

Molecular Properties

Compound Nameethane;2-methyloct-1-ene;propane
PubChem CID177190898
Molecular FormulaC14H32
Molecular Weight200.41 g/mol
Exact Mass200.25
IUPAC Nameethane;2-methyloct-1-ene;propane
SMILESC=C(C)CCCCCC.CC.CCC
InChIInChI=1S/C9H18.C3H8.C2H6/c1-4-5-6-7-8-9(2)3;1-3-2;1-2/h2,4-8H2,1,3H3;3H2,1-2H3;1-2H3
InChIKeyRTHPKVFZPGTJCW-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.41
LogP ≤ 55.98
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-methylhept-1-ene
CID 143682307
2-methyltetradec-1-ene
CID 521375
2,20-dimethylhenicosa-1,20-diene;ethane;propane
CID 156639867
ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene
CID 143703494
2-methylhex-1-ene
CID 158402499
2,14-dimethylpentadeca-1,14-diene
CID 123962057
N-(6-methylhept-6-enyl)-N-propyloctan-1-amine
CID 167036910
1-(8-methylnon-8-enoxy)dodecane
CID 10520052
8-heptoxy-2-methyloct-1-ene
CID 59205550
ethane;hexane;2-methylprop-1-ene;propane
CID 145358355
2,11-dimethylnonadec-1-ene
CID 123484198

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyloct-1-ene;propane?
The IUPAC name of ethane;2-methyloct-1-ene;propane (CID 177190898) is ethane;2-methyloct-1-ene;propane.
What is the SMILES notation for ethane;2-methyloct-1-ene;propane?
The canonical SMILES for ethane;2-methyloct-1-ene;propane is C=C(C)CCCCCC.CC.CCC.
What is the InChIKey of ethane;2-methyloct-1-ene;propane?
The InChIKey is RTHPKVFZPGTJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C3H8.C2H6/c1-4-5-6-7-8-9(2)3;1-3-2;1-2/h2,4-8H2,1,3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyloct-1-ene;propane?
ethane;2-methyloct-1-ene;propane has a molecular weight of 200.41 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyloct-1-ene;propane is sourced from PubChem (CID 177190898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).