(3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene

C12H22 — CID 143261301

IUPAC(3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene
SMILESC=C[C@@H](CC)C[C@@H](C)C(=C)CC
InChIInChI=1S/C12H22/c1-6-10(4)11(5)9-12(7-2)8-3/h7,11-12H,2,4,6,8-9H2,1,3,5H3/t11-,12+/m1/s1
InChIKeyZFIOLLLQTFIXAC-NEPJUHHUSA-N
MW166.31 g/mol
LogP4.19
Rot. Bonds6

About (3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene

(3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene (PubChem CID 143261301) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene.

Molecular Properties

Compound Name(3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene
PubChem CID143261301
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene
SMILESC=C[C@@H](CC)C[C@@H](C)C(=C)CC
InChIInChI=1S/C12H22/c1-6-10(4)11(5)9-12(7-2)8-3/h7,11-12H,2,4,6,8-9H2,1,3,5H3/t11-,12+/m1/s1
InChIKeyZFIOLLLQTFIXAC-NEPJUHHUSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene?
The IUPAC name of (3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene (CID 143261301) is (3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene.
What is the SMILES notation for (3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene?
The canonical SMILES for (3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene is C=C[C@@H](CC)C[C@@H](C)C(=C)CC.
What is the InChIKey of (3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene?
The InChIKey is ZFIOLLLQTFIXAC-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H22/c1-6-10(4)11(5)9-12(7-2)8-3/h7,11-12H,2,4,6,8-9H2,1,3,5H3/t11-,12+/m1/s1.
What are the key properties of (3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene?
(3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene has a molecular weight of 166.31 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene is sourced from PubChem (CID 143261301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).