5-ethyl-5-methoxy-6-methylhept-1-ene

C11H22O — CID 23385160

IUPAC5-ethyl-5-methoxy-6-methylhept-1-ene
SMILESC=CCCC(CC)(OC)C(C)C
InChIInChI=1S/C11H22O/c1-6-8-9-11(7-2,12-5)10(3)4/h6,10H,1,7-9H2,2-5H3
InChIKeyNLINEQHJZFQRQK-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.40
Rot. Bonds6

About 5-ethyl-5-methoxy-6-methylhept-1-ene

5-ethyl-5-methoxy-6-methylhept-1-ene (PubChem CID 23385160) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 5-ethyl-5-methoxy-6-methylhept-1-ene.

Molecular Properties

Compound Name5-ethyl-5-methoxy-6-methylhept-1-ene
PubChem CID23385160
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name5-ethyl-5-methoxy-6-methylhept-1-ene
SMILESC=CCCC(CC)(OC)C(C)C
InChIInChI=1S/C11H22O/c1-6-8-9-11(7-2,12-5)10(3)4/h6,10H,1,7-9H2,2-5H3
InChIKeyNLINEQHJZFQRQK-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.40
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

4-methoxy-4-propan-2-ylocta-1,7-diene
CID 23385043
3-ethyl-3-methoxy-2-methylpentane
CID 23384914
5-methoxy-5,6-dimethylhept-1-ene
CID 23385174
diethyl 2-but-3-enyl-2-propan-2-ylpropanedioate
CID 113360268
(4S)-4-propan-2-yloct-7-en-4-ol
CID 59911272
4-(1,1-difluoropropoxy)but-1-ene
CID 88900247
5-methyl-5-(3-methylidenepent-1-en-2-yloxy)hept-1-ene
CID 123501813
(4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene
CID 59039373
4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride
CID 174848578
2-but-3-enyl-2-ethylhex-5-en-1-ol
CID 159922926
4,4-diethyl-5-methylhex-1-ene
CID 23384984
3-ethyl-3-methoxy-2,4-dimethylpentane
CID 23384912

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methoxy-6-methylhept-1-ene?
The IUPAC name of 5-ethyl-5-methoxy-6-methylhept-1-ene (CID 23385160) is 5-ethyl-5-methoxy-6-methylhept-1-ene.
What is the SMILES notation for 5-ethyl-5-methoxy-6-methylhept-1-ene?
The canonical SMILES for 5-ethyl-5-methoxy-6-methylhept-1-ene is C=CCCC(CC)(OC)C(C)C.
What is the InChIKey of 5-ethyl-5-methoxy-6-methylhept-1-ene?
The InChIKey is NLINEQHJZFQRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-6-8-9-11(7-2,12-5)10(3)4/h6,10H,1,7-9H2,2-5H3.
What are the key properties of 5-ethyl-5-methoxy-6-methylhept-1-ene?
5-ethyl-5-methoxy-6-methylhept-1-ene has a molecular weight of 170.30 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methoxy-6-methylhept-1-ene is sourced from PubChem (CID 23385160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).