(E)-5-methoxy-3-methylhept-3-ene

C9H18O — CID 59875254

IUPAC(E)-5-methoxy-3-methylhept-3-ene
SMILESCC/C(C)=C/C(CC)OC
InChIInChI=1S/C9H18O/c1-5-8(3)7-9(6-2)10-4/h7,9H,5-6H2,1-4H3/b8-7+
InChIKeyYBRCEPNBACZLJX-BQYQJAHWSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds4

About (E)-5-methoxy-3-methylhept-3-ene

(E)-5-methoxy-3-methylhept-3-ene (PubChem CID 59875254) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (E)-5-methoxy-3-methylhept-3-ene.

Molecular Properties

Compound Name(E)-5-methoxy-3-methylhept-3-ene
PubChem CID59875254
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(E)-5-methoxy-3-methylhept-3-ene
SMILESCC/C(C)=C/C(CC)OC
InChIInChI=1S/C9H18O/c1-5-8(3)7-9(6-2)10-4/h7,9H,5-6H2,1-4H3/b8-7+
InChIKeyYBRCEPNBACZLJX-BQYQJAHWSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
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

(E)-5-methoxy-3-methylhept-3-enal
CID 87291849
(E,5S)-3,5-dimethylhept-3-ene
CID 25021557
(E,3R,4S)-4-ethyl-3-methoxy-6-methyloct-5-en-1-yne
CID 118517785
(Z)-2,4-dimethylhex-3-ene
CID 5463169
(E)-3-hydroperoxy-5-methyloct-4-ene
CID 15041468
5-methoxy-3-methylnon-3-en-1-ol
CID 91036217
(E)-5-methoxy-3-methyloct-3-enal
CID 87291411
ethane-1,2-diol;3-methoxypent-1-ene
CID 90081952
4-hydroperoxy-2-methylhex-2-ene
CID 12949724
(Z)-1-methoxy-2-methylbut-1-ene
CID 3033475
5-methoxy-2-methylhept-3-enal
CID 91013890
(E)-3,5-dimethylhept-4-en-2-one
CID 87291087

Frequently Asked Questions

What is the IUPAC name of (E)-5-methoxy-3-methylhept-3-ene?
The IUPAC name of (E)-5-methoxy-3-methylhept-3-ene (CID 59875254) is (E)-5-methoxy-3-methylhept-3-ene.
What is the SMILES notation for (E)-5-methoxy-3-methylhept-3-ene?
The canonical SMILES for (E)-5-methoxy-3-methylhept-3-ene is CC/C(C)=C/C(CC)OC.
What is the InChIKey of (E)-5-methoxy-3-methylhept-3-ene?
The InChIKey is YBRCEPNBACZLJX-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H18O/c1-5-8(3)7-9(6-2)10-4/h7,9H,5-6H2,1-4H3/b8-7+.
What are the key properties of (E)-5-methoxy-3-methylhept-3-ene?
(E)-5-methoxy-3-methylhept-3-ene has a molecular weight of 142.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-3-methylhept-3-ene is sourced from PubChem (CID 59875254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).