(5S)-5-methoxy-5-(methoxymethyl)-6-methylhept-1-ene

C11H22O2 — CID 59039442

IUPAC(5S)-5-methoxy-5-(methoxymethyl)-6-methylhept-1-ene
SMILESC=CCC[C@](COC)(OC)C(C)C
InChIInChI=1S/C11H22O2/c1-6-7-8-11(13-5,9-12-4)10(2)3/h6,10H,1,7-9H2,2-5H3/t11-/m1/s1
InChIKeyPPBIGRQXBSTDQZ-LLVKDONJSA-N
MW186.29 g/mol
LogP2.64
Rot. Bonds7

About (5S)-5-methoxy-5-(methoxymethyl)-6-methylhept-1-ene

(5S)-5-methoxy-5-(methoxymethyl)-6-methylhept-1-ene (PubChem CID 59039442) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (5S)-5-methoxy-5-(methoxymethyl)-6-methylhept-1-ene.

Molecular Properties

Compound Name(5S)-5-methoxy-5-(methoxymethyl)-6-methylhept-1-ene
PubChem CID59039442
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(5S)-5-methoxy-5-(methoxymethyl)-6-methylhept-1-ene
SMILESC=CCC[C@](COC)(OC)C(C)C
InChIInChI=1S/C11H22O2/c1-6-7-8-11(13-5,9-12-4)10(2)3/h6,10H,1,7-9H2,2-5H3/t11-/m1/s1
InChIKeyPPBIGRQXBSTDQZ-LLVKDONJSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(methoxymethyl)-6-methylhept-1-ene?
The IUPAC name of (5S)-5-methoxy-5-(methoxymethyl)-6-methylhept-1-ene (CID 59039442) is (5S)-5-methoxy-5-(methoxymethyl)-6-methylhept-1-ene.
What is the SMILES notation for (5S)-5-methoxy-5-(methoxymethyl)-6-methylhept-1-ene?
The canonical SMILES for (5S)-5-methoxy-5-(methoxymethyl)-6-methylhept-1-ene is C=CCC[C@](COC)(OC)C(C)C.
What is the InChIKey of (5S)-5-methoxy-5-(methoxymethyl)-6-methylhept-1-ene?
The InChIKey is PPBIGRQXBSTDQZ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H22O2/c1-6-7-8-11(13-5,9-12-4)10(2)3/h6,10H,1,7-9H2,2-5H3/t11-/m1/s1.
What are the key properties of (5S)-5-methoxy-5-(methoxymethyl)-6-methylhept-1-ene?
(5S)-5-methoxy-5-(methoxymethyl)-6-methylhept-1-ene has a molecular weight of 186.29 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methoxy-5-(methoxymethyl)-6-methylhept-1-ene is sourced from PubChem (CID 59039442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).