(6S)-6-(methoxymethoxy)hept-1-ene

C9H18O2 — CID 11040967

IUPAC(6S)-6-(methoxymethoxy)hept-1-ene
SMILESC=CCCC[C@H](C)OCOC
InChIInChI=1S/C9H18O2/c1-4-5-6-7-9(2)11-8-10-3/h4,9H,1,5-8H2,2-3H3/t9-/m0/s1
InChIKeyATNATEHGOUULSP-VIFPVBQESA-N
MW158.24 g/mol
LogP2.35
Rot. Bonds7

About (6S)-6-(methoxymethoxy)hept-1-ene

(6S)-6-(methoxymethoxy)hept-1-ene (PubChem CID 11040967) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (6S)-6-(methoxymethoxy)hept-1-ene.

Molecular Properties

Compound Name(6S)-6-(methoxymethoxy)hept-1-ene
PubChem CID11040967
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(6S)-6-(methoxymethoxy)hept-1-ene
SMILESC=CCCC[C@H](C)OCOC
InChIInChI=1S/C9H18O2/c1-4-5-6-7-9(2)11-8-10-3/h4,9H,1,5-8H2,2-3H3/t9-/m0/s1
InChIKeyATNATEHGOUULSP-VIFPVBQESA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1-Dimethoxy-6-heptene
CID 13275268
6,6-Dimethoxyhex-1-ene
CID 15255468
3-(Methoxymethoxy)hex-1-ene
CID 13694622
Hept-1-en-3-yl methyl carbonate
CID 14170338
Ethyl hex-5-enyl carbonate
CID 45140691
3-(Ethoxymethoxy)oct-1-ene
CID 88003605
6-(2-Methoxyethoxymethoxy)hex-1-ene
CID 357868
1-Octene, 3-(methoxymethoxy)-
CID 542474
4-Methoxymethoxy-hex-1-ene
CID 542481
Ethyl hept-1-en-3-yl carbonate
CID 13164697
[(3R)-hept-1-en-3-yl] methyl carbonate
CID 14170339
3-(2-Methoxypropan-2-ylperoxy)hept-1-ene
CID 14891052

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(methoxymethoxy)hept-1-ene?
The IUPAC name of (6S)-6-(methoxymethoxy)hept-1-ene (CID 11040967) is (6S)-6-(methoxymethoxy)hept-1-ene.
What is the SMILES notation for (6S)-6-(methoxymethoxy)hept-1-ene?
The canonical SMILES for (6S)-6-(methoxymethoxy)hept-1-ene is C=CCCC[C@H](C)OCOC.
What is the InChIKey of (6S)-6-(methoxymethoxy)hept-1-ene?
The InChIKey is ATNATEHGOUULSP-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18O2/c1-4-5-6-7-9(2)11-8-10-3/h4,9H,1,5-8H2,2-3H3/t9-/m0/s1.
What are the key properties of (6S)-6-(methoxymethoxy)hept-1-ene?
(6S)-6-(methoxymethoxy)hept-1-ene has a molecular weight of 158.24 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(methoxymethoxy)hept-1-ene is sourced from PubChem (CID 11040967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).