(5S)-5-methoxy-5,6-dimethylhept-1-ene

C10H20O — CID 59039485

IUPAC(5S)-5-methoxy-5,6-dimethylhept-1-ene
SMILESC=CCC[C@](C)(OC)C(C)C
InChIInChI=1S/C10H20O/c1-6-7-8-10(4,11-5)9(2)3/h6,9H,1,7-8H2,2-5H3/t10-/m0/s1
InChIKeyPVDNJXLFZAVBQW-JTQLQIEISA-N
MW156.27 g/mol
LogP3.01
Rot. Bonds5

About (5S)-5-methoxy-5,6-dimethylhept-1-ene

(5S)-5-methoxy-5,6-dimethylhept-1-ene (PubChem CID 59039485) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (5S)-5-methoxy-5,6-dimethylhept-1-ene.

Molecular Properties

Compound Name(5S)-5-methoxy-5,6-dimethylhept-1-ene
PubChem CID59039485
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(5S)-5-methoxy-5,6-dimethylhept-1-ene
SMILESC=CCC[C@](C)(OC)C(C)C
InChIInChI=1S/C10H20O/c1-6-7-8-10(4,11-5)9(2)3/h6,9H,1,7-8H2,2-5H3/t10-/m0/s1
InChIKeyPVDNJXLFZAVBQW-JTQLQIEISA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (5S)-5-methoxy-5,6-dimethylhept-1-ene?
The IUPAC name of (5S)-5-methoxy-5,6-dimethylhept-1-ene (CID 59039485) is (5S)-5-methoxy-5,6-dimethylhept-1-ene.
What is the SMILES notation for (5S)-5-methoxy-5,6-dimethylhept-1-ene?
The canonical SMILES for (5S)-5-methoxy-5,6-dimethylhept-1-ene is C=CCC[C@](C)(OC)C(C)C.
What is the InChIKey of (5S)-5-methoxy-5,6-dimethylhept-1-ene?
The InChIKey is PVDNJXLFZAVBQW-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20O/c1-6-7-8-10(4,11-5)9(2)3/h6,9H,1,7-8H2,2-5H3/t10-/m0/s1.
What are the key properties of (5S)-5-methoxy-5,6-dimethylhept-1-ene?
(5S)-5-methoxy-5,6-dimethylhept-1-ene has a molecular weight of 156.27 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methoxy-5,6-dimethylhept-1-ene is sourced from PubChem (CID 59039485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).