(3S,4R)-4-(methoxymethoxy)-3-methylnon-1-ene

C12H24O2 — CID 15652070

IUPAC(3S,4R)-4-(methoxymethoxy)-3-methylnon-1-ene
SMILESC=C[C@H](C)[C@@H](CCCCC)OCOC
InChIInChI=1S/C12H24O2/c1-5-7-8-9-12(11(3)6-2)14-10-13-4/h6,11-12H,2,5,7-10H2,1,3-4H3/t11-,12+/m0/s1
InChIKeyZYWGWESBCIGDCI-NWDGAFQWSA-N
MW200.32 g/mol
LogP3.38
Rot. Bonds9

About (3S,4R)-4-(methoxymethoxy)-3-methylnon-1-ene

(3S,4R)-4-(methoxymethoxy)-3-methylnon-1-ene (PubChem CID 15652070) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (3S,4R)-4-(methoxymethoxy)-3-methylnon-1-ene.

Molecular Properties

Compound Name(3S,4R)-4-(methoxymethoxy)-3-methylnon-1-ene
PubChem CID15652070
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(3S,4R)-4-(methoxymethoxy)-3-methylnon-1-ene
SMILESC=C[C@H](C)[C@@H](CCCCC)OCOC
InChIInChI=1S/C12H24O2/c1-5-7-8-9-12(11(3)6-2)14-10-13-4/h6,11-12H,2,5,7-10H2,1,3-4H3/t11-,12+/m0/s1
InChIKeyZYWGWESBCIGDCI-NWDGAFQWSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(methoxymethoxy)-3-methylnon-1-ene?
The IUPAC name of (3S,4R)-4-(methoxymethoxy)-3-methylnon-1-ene (CID 15652070) is (3S,4R)-4-(methoxymethoxy)-3-methylnon-1-ene.
What is the SMILES notation for (3S,4R)-4-(methoxymethoxy)-3-methylnon-1-ene?
The canonical SMILES for (3S,4R)-4-(methoxymethoxy)-3-methylnon-1-ene is C=C[C@H](C)[C@@H](CCCCC)OCOC.
What is the InChIKey of (3S,4R)-4-(methoxymethoxy)-3-methylnon-1-ene?
The InChIKey is ZYWGWESBCIGDCI-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-7-8-9-12(11(3)6-2)14-10-13-4/h6,11-12H,2,5,7-10H2,1,3-4H3/t11-,12+/m0/s1.
What are the key properties of (3S,4R)-4-(methoxymethoxy)-3-methylnon-1-ene?
(3S,4R)-4-(methoxymethoxy)-3-methylnon-1-ene has a molecular weight of 200.32 g/mol, XLogP of 3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(methoxymethoxy)-3-methylnon-1-ene is sourced from PubChem (CID 15652070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).