7-methoxy-3-methylhept-1-ene

C9H18O — CID 91355291

IUPAC7-methoxy-3-methylhept-1-ene
SMILESC=CC(C)CCCCOC
InChIInChI=1S/C9H18O/c1-4-9(2)7-5-6-8-10-3/h4,9H,1,5-8H2,2-3H3
InChIKeySRNOIBKQGCCOFV-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.63
Rot. Bonds6

About 7-methoxy-3-methylhept-1-ene

7-methoxy-3-methylhept-1-ene (PubChem CID 91355291) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 7-methoxy-3-methylhept-1-ene.

Molecular Properties

Compound Name7-methoxy-3-methylhept-1-ene
PubChem CID91355291
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name7-methoxy-3-methylhept-1-ene
SMILESC=CC(C)CCCCOC
InChIInChI=1S/C9H18O/c1-4-9(2)7-5-6-8-10-3/h4,9H,1,5-8H2,2-3H3
InChIKeySRNOIBKQGCCOFV-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Octene, 7-ethoxy-3,7-dimethyl-
CID 86128
1-Octene, 7-methoxy-3,7-dimethyl-
CID 103825
6-Hepten-1-ol, 2-methyl-
CID 565262
3-Methyl-7-(trifluoromethoxy)hept-1-ene
CID 89263479
5-Methyl-6-hepten-1-ol
CID 543351
6-Hepten-1-ol, 2-methyl-, (2S)-
CID 11062414
(3R)-3-(iodomethyl)-7-[(2-methylpropan-2-yl)oxy]hept-1-ene
CID 131888075
Bromozinc(1+);3-(methoxymethyl)hept-1-ene
CID 134897679
7-Methoxyhept-1-ene
CID 12593436
4-(2-Methoxyethyl)oct-1-ene
CID 12680837
10-Methoxy-9-methyldec-1-ene
CID 17824989
10-Methyl-11-propoxyundec-1-ene
CID 17824990

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methylhept-1-ene?
The IUPAC name of 7-methoxy-3-methylhept-1-ene (CID 91355291) is 7-methoxy-3-methylhept-1-ene.
What is the SMILES notation for 7-methoxy-3-methylhept-1-ene?
The canonical SMILES for 7-methoxy-3-methylhept-1-ene is C=CC(C)CCCCOC.
What is the InChIKey of 7-methoxy-3-methylhept-1-ene?
The InChIKey is SRNOIBKQGCCOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-4-9(2)7-5-6-8-10-3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 7-methoxy-3-methylhept-1-ene?
7-methoxy-3-methylhept-1-ene has a molecular weight of 142.24 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methylhept-1-ene is sourced from PubChem (CID 91355291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).