(4S)-4-(methoxymethoxy)hept-1-ene

C9H18O2 — CID 24859886

IUPAC(4S)-4-(methoxymethoxy)hept-1-ene
SMILESC=CC[C@H](CCC)OCOC
InChIInChI=1S/C9H18O2/c1-4-6-9(7-5-2)11-8-10-3/h4,9H,1,5-8H2,2-3H3/t9-/m1/s1
InChIKeyPPUPHYNOZAWZJX-SECBINFHSA-N
MW158.24 g/mol
LogP2.35
Rot. Bonds7

About (4S)-4-(methoxymethoxy)hept-1-ene

(4S)-4-(methoxymethoxy)hept-1-ene (PubChem CID 24859886) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (4S)-4-(methoxymethoxy)hept-1-ene.

Molecular Properties

Compound Name(4S)-4-(methoxymethoxy)hept-1-ene
PubChem CID24859886
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(4S)-4-(methoxymethoxy)hept-1-ene
SMILESC=CC[C@H](CCC)OCOC
InChIInChI=1S/C9H18O2/c1-4-6-9(7-5-2)11-8-10-3/h4,9H,1,5-8H2,2-3H3/t9-/m1/s1
InChIKeyPPUPHYNOZAWZJX-SECBINFHSA-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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(Methoxymethoxy)hex-1-ene
CID 13694622
4-Methoxymethoxy-hex-1-ene
CID 542481
(2S,4S)-4-(methoxymethoxy)hept-6-en-2-ol
CID 46218223
4,4,6-Triethoxy-1-hexene
CID 129805134
(4S)-4-(methoxymethoxy)non-1-ene
CID 134836991
(4R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxane
CID 134860064
5,5-Diethoxyhex-1-ene
CID 135059861
5,5-Di(propan-2-yloxy)pent-1-ene
CID 325834
(Z)-5,6,7,7-tetradeuterio-1,1-di(propan-2-yloxy)non-3-ene
CID 10922846
(Z)-1,1-di(propan-2-yloxy)non-3-ene
CID 14236951
4-(Methoxymethoxy)non-1-ene
CID 14592865
5,5-Dideuterio-7-(methoxymethoxy)undec-1-ene
CID 15262319

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methoxymethoxy)hept-1-ene?
The IUPAC name of (4S)-4-(methoxymethoxy)hept-1-ene (CID 24859886) is (4S)-4-(methoxymethoxy)hept-1-ene.
What is the SMILES notation for (4S)-4-(methoxymethoxy)hept-1-ene?
The canonical SMILES for (4S)-4-(methoxymethoxy)hept-1-ene is C=CC[C@H](CCC)OCOC.
What is the InChIKey of (4S)-4-(methoxymethoxy)hept-1-ene?
The InChIKey is PPUPHYNOZAWZJX-SECBINFHSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-6-9(7-5-2)11-8-10-3/h4,9H,1,5-8H2,2-3H3/t9-/m1/s1.
What are the key properties of (4S)-4-(methoxymethoxy)hept-1-ene?
(4S)-4-(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 (4S)-4-(methoxymethoxy)hept-1-ene is sourced from PubChem (CID 24859886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).