(3S)-3-(methoxymethoxy)-5-methylhex-1-ene

C9H18O2 — CID 118260282

IUPAC(3S)-3-(methoxymethoxy)-5-methylhex-1-ene
SMILESC=C[C@H](CC(C)C)OCOC
InChIInChI=1S/C9H18O2/c1-5-9(6-8(2)3)11-7-10-4/h5,8-9H,1,6-7H2,2-4H3/t9-/m1/s1
InChIKeyWHWHRARHSZMOCB-SECBINFHSA-N
MW158.24 g/mol
LogP2.21
Rot. Bonds6

About (3S)-3-(methoxymethoxy)-5-methylhex-1-ene

(3S)-3-(methoxymethoxy)-5-methylhex-1-ene (PubChem CID 118260282) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (3S)-3-(methoxymethoxy)-5-methylhex-1-ene.

Molecular Properties

Compound Name(3S)-3-(methoxymethoxy)-5-methylhex-1-ene
PubChem CID118260282
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(3S)-3-(methoxymethoxy)-5-methylhex-1-ene
SMILESC=C[C@H](CC(C)C)OCOC
InChIInChI=1S/C9H18O2/c1-5-9(6-8(2)3)11-7-10-4/h5,8-9H,1,6-7H2,2-4H3/t9-/m1/s1
InChIKeyWHWHRARHSZMOCB-SECBINFHSA-N
XLogP2.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.21
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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethoxy)-5-methylhex-1-ene?
The IUPAC name of (3S)-3-(methoxymethoxy)-5-methylhex-1-ene (CID 118260282) is (3S)-3-(methoxymethoxy)-5-methylhex-1-ene.
What is the SMILES notation for (3S)-3-(methoxymethoxy)-5-methylhex-1-ene?
The canonical SMILES for (3S)-3-(methoxymethoxy)-5-methylhex-1-ene is C=C[C@H](CC(C)C)OCOC.
What is the InChIKey of (3S)-3-(methoxymethoxy)-5-methylhex-1-ene?
The InChIKey is WHWHRARHSZMOCB-SECBINFHSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-9(6-8(2)3)11-7-10-4/h5,8-9H,1,6-7H2,2-4H3/t9-/m1/s1.
What are the key properties of (3S)-3-(methoxymethoxy)-5-methylhex-1-ene?
(3S)-3-(methoxymethoxy)-5-methylhex-1-ene has a molecular weight of 158.24 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethoxy)-5-methylhex-1-ene is sourced from PubChem (CID 118260282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).