2-[1-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyethoxy]ethylcyclohexane

C20H34O2 — CID 88893371

IUPAC2-[1-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyethoxy]ethylcyclohexane
SMILESC=C(/C=C\C(=C)C(C)CC)OC(C)OCCC1CCCCC1
InChIInChI=1S/C20H34O2/c1-6-16(2)17(3)12-13-18(4)22-19(5)21-15-14-20-10-8-7-9-11-20/h12-13,16,19-20H,3-4,6-11,14-15H2,1-2,5H3/b13-12-
InChIKeyWMJVZFNZNNNKJM-SEYXRHQNSA-N
MW306.49 g/mol
LogP6.01
Rot. Bonds10

About 2-[1-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyethoxy]ethylcyclohexane

2-[1-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyethoxy]ethylcyclohexane (PubChem CID 88893371) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-[1-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyethoxy]ethylcyclohexane.

Molecular Properties

Compound Name2-[1-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyethoxy]ethylcyclohexane
PubChem CID88893371
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name2-[1-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyethoxy]ethylcyclohexane
SMILESC=C(/C=C\C(=C)C(C)CC)OC(C)OCCC1CCCCC1
InChIInChI=1S/C20H34O2/c1-6-16(2)17(3)12-13-18(4)22-19(5)21-15-14-20-10-8-7-9-11-20/h12-13,16,19-20H,3-4,6-11,14-15H2,1-2,5H3/b13-12-
InChIKeyWMJVZFNZNNNKJM-SEYXRHQNSA-N
XLogP6.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyethoxy]ethylcyclohexane?
The IUPAC name of 2-[1-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyethoxy]ethylcyclohexane (CID 88893371) is 2-[1-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyethoxy]ethylcyclohexane.
What is the SMILES notation for 2-[1-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyethoxy]ethylcyclohexane?
The canonical SMILES for 2-[1-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyethoxy]ethylcyclohexane is C=C(/C=C\C(=C)C(C)CC)OC(C)OCCC1CCCCC1.
What is the InChIKey of 2-[1-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyethoxy]ethylcyclohexane?
The InChIKey is WMJVZFNZNNNKJM-SEYXRHQNSA-N. The full InChI is InChI=1S/C20H34O2/c1-6-16(2)17(3)12-13-18(4)22-19(5)21-15-14-20-10-8-7-9-11-20/h12-13,16,19-20H,3-4,6-11,14-15H2,1-2,5H3/b13-12-.
What are the key properties of 2-[1-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyethoxy]ethylcyclohexane?
2-[1-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyethoxy]ethylcyclohexane has a molecular weight of 306.49 g/mol, XLogP of 6.01, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3Z)-6-methyl-5-methylideneocta-1,3-dien-2-yl]oxyethoxy]ethylcyclohexane is sourced from PubChem (CID 88893371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).