(E)-3,6,7-trimethyloct-3-ene

C11H22 — CID 167475963

IUPAC(E)-3,6,7-trimethyloct-3-ene
SMILESCC/C(C)=C/CC(C)C(C)C
InChIInChI=1S/C11H22/c1-6-10(4)7-8-11(5)9(2)3/h7,9,11H,6,8H2,1-5H3/b10-7+
InChIKeyMYMZBNLQBCIVRZ-JXMROGBWSA-N
MW154.30 g/mol
LogP4.02
Rot. Bonds4

About (E)-3,6,7-trimethyloct-3-ene

(E)-3,6,7-trimethyloct-3-ene (PubChem CID 167475963) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is (E)-3,6,7-trimethyloct-3-ene.

Molecular Properties

Compound Name(E)-3,6,7-trimethyloct-3-ene
PubChem CID167475963
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name(E)-3,6,7-trimethyloct-3-ene
SMILESCC/C(C)=C/CC(C)C(C)C
InChIInChI=1S/C11H22/c1-6-10(4)7-8-11(5)9(2)3/h7,9,11H,6,8H2,1-5H3/b10-7+
InChIKeyMYMZBNLQBCIVRZ-JXMROGBWSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.02
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

3,6,7-trimethyldec-3-ene
CID 123818084
2,3,6-trimethylundec-5-ene
CID 123502967
(Z)-5-methylhept-4-en-2-amine
CID 143746463
(E)-2,5,6-trimethylhept-2-enal
CID 14817968
7-bromo-3,6-dimethylhept-3-ene
CID 54367559
2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane
CID 170712386
6,10-dimethyldodeca-5,9-dien-2-ol
CID 76600828
(E)-5-methyl-2-prop-1-en-2-ylhept-4-en-1-ol
CID 122678118
methane;(E)-3-methylhex-3-ene
CID 157350431
methane;(Z)-3-methylhex-3-ene
CID 168892321
3,4-dimethylpentanethial
CID 54142561
(E)-7-methylnon-6-en-3-one
CID 22749805

Frequently Asked Questions

What is the IUPAC name of (E)-3,6,7-trimethyloct-3-ene?
The IUPAC name of (E)-3,6,7-trimethyloct-3-ene (CID 167475963) is (E)-3,6,7-trimethyloct-3-ene.
What is the SMILES notation for (E)-3,6,7-trimethyloct-3-ene?
The canonical SMILES for (E)-3,6,7-trimethyloct-3-ene is CC/C(C)=C/CC(C)C(C)C.
What is the InChIKey of (E)-3,6,7-trimethyloct-3-ene?
The InChIKey is MYMZBNLQBCIVRZ-JXMROGBWSA-N. The full InChI is InChI=1S/C11H22/c1-6-10(4)7-8-11(5)9(2)3/h7,9,11H,6,8H2,1-5H3/b10-7+.
What are the key properties of (E)-3,6,7-trimethyloct-3-ene?
(E)-3,6,7-trimethyloct-3-ene has a molecular weight of 154.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,6,7-trimethyloct-3-ene is sourced from PubChem (CID 167475963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).