(E)-1-methoxy-2-methylhept-3-ene

C9H18O — CID 171378008

IUPAC(E)-1-methoxy-2-methylhept-3-ene
SMILESCCC/C=C/C(C)COC
InChIInChI=1S/C9H18O/c1-4-5-6-7-9(2)8-10-3/h6-7,9H,4-5,8H2,1-3H3/b7-6+
InChIKeyLAKPLOIYTSHYHJ-VOTSOKGWSA-N
MW142.24 g/mol
LogP2.63
Rot. Bonds5

About (E)-1-methoxy-2-methylhept-3-ene

(E)-1-methoxy-2-methylhept-3-ene (PubChem CID 171378008) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (E)-1-methoxy-2-methylhept-3-ene.

Molecular Properties

Compound Name(E)-1-methoxy-2-methylhept-3-ene
PubChem CID171378008
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(E)-1-methoxy-2-methylhept-3-ene
SMILESCCC/C=C/C(C)COC
InChIInChI=1S/C9H18O/c1-4-5-6-7-9(2)8-10-3/h6-7,9H,4-5,8H2,1-3H3/b7-6+
InChIKeyLAKPLOIYTSHYHJ-VOTSOKGWSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-3-Nonen-1-ol, methyl ether
CID 12563929
3-Methyl-2,3,6,7-tetrahydrooxepine
CID 13761354
(E)-1-methoxynon-3-ene
CID 11665450
(3E)-2-methyl-3-hepten-1-ol
CID 12869946
1-Methoxyhept-3-ene
CID 71338532
3-Deuterio-3-(methoxymethyl)-1,5-dimethylcyclohexa-1,4-diene
CID 146169453
1-Ethoxy-3-hexene
CID 3023735
1-Ethoxyhex-3-ene
CID 6366463
2-Pentene, 5-butoxy-, (E)-
CID 5364979
3-Heptene, 7-ethoxy-
CID 5367613
(E)-5-propoxypent-2-ene
CID 13513696
4-(Methoxymethyl)undeca-1,5,6,10-tetraene
CID 12715944

Frequently Asked Questions

What is the IUPAC name of (E)-1-methoxy-2-methylhept-3-ene?
The IUPAC name of (E)-1-methoxy-2-methylhept-3-ene (CID 171378008) is (E)-1-methoxy-2-methylhept-3-ene.
What is the SMILES notation for (E)-1-methoxy-2-methylhept-3-ene?
The canonical SMILES for (E)-1-methoxy-2-methylhept-3-ene is CCC/C=C/C(C)COC.
What is the InChIKey of (E)-1-methoxy-2-methylhept-3-ene?
The InChIKey is LAKPLOIYTSHYHJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H18O/c1-4-5-6-7-9(2)8-10-3/h6-7,9H,4-5,8H2,1-3H3/b7-6+.
What are the key properties of (E)-1-methoxy-2-methylhept-3-ene?
(E)-1-methoxy-2-methylhept-3-ene has a molecular weight of 142.24 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxy-2-methylhept-3-ene is sourced from PubChem (CID 171378008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).