6-ethyl-7-methylocta-1,2,7-triene

C11H18 — CID 91218176

IUPAC6-ethyl-7-methylocta-1,2,7-triene
SMILESC=C=CCCC(CC)C(=C)C
InChIInChI=1S/C11H18/c1-5-7-8-9-11(6-2)10(3)4/h7,11H,1,3,6,8-9H2,2,4H3
InChIKeyBLBREAQZXYFYQV-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.71
Rot. Bonds5

About 6-ethyl-7-methylocta-1,2,7-triene

6-ethyl-7-methylocta-1,2,7-triene (PubChem CID 91218176) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 6-ethyl-7-methylocta-1,2,7-triene.

Molecular Properties

Compound Name6-ethyl-7-methylocta-1,2,7-triene
PubChem CID91218176
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name6-ethyl-7-methylocta-1,2,7-triene
SMILESC=C=CCCC(CC)C(=C)C
InChIInChI=1S/C11H18/c1-5-7-8-9-11(6-2)10(3)4/h7,11H,1,3,6,8-9H2,2,4H3
InChIKeyBLBREAQZXYFYQV-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2-methyl-6-methylideneoct-1-ene
CID 144692638
azane;3-ethyl-2-methylpent-1-ene;hydrochloride
CID 175344836
3-ethyl-2,7-dimethyloct-1-ene
CID 123570593
3-ethyl-2-methyldodec-1-ene
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8-methyl-5-prop-1-en-2-yldec-1-ene
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(5S,8R)-8-methyl-5-prop-1-en-2-yldec-1-ene
CID 162701561
ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine
CID 171815778
7-methylocta-1,2-diene
CID 90830179
nona-7,8-dien-2-ol
CID 121332931
3-(bromomethyl)-2-methylhepta-1,6-diene
CID 15714449
(3-ethyl-4-methylpent-4-enyl)benzene
CID 123220776
13-ethylhexacosa-1,2-diene
CID 91273898

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-methylocta-1,2,7-triene?
The IUPAC name of 6-ethyl-7-methylocta-1,2,7-triene (CID 91218176) is 6-ethyl-7-methylocta-1,2,7-triene.
What is the SMILES notation for 6-ethyl-7-methylocta-1,2,7-triene?
The canonical SMILES for 6-ethyl-7-methylocta-1,2,7-triene is C=C=CCCC(CC)C(=C)C.
What is the InChIKey of 6-ethyl-7-methylocta-1,2,7-triene?
The InChIKey is BLBREAQZXYFYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-5-7-8-9-11(6-2)10(3)4/h7,11H,1,3,6,8-9H2,2,4H3.
What are the key properties of 6-ethyl-7-methylocta-1,2,7-triene?
6-ethyl-7-methylocta-1,2,7-triene has a molecular weight of 150.26 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-methylocta-1,2,7-triene is sourced from PubChem (CID 91218176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).