(2E)-3,7-dimethyl-1-propan-2-yloxyocta-2,6-diene

C13H24O — CID 21350906

IUPAC(2E)-3,7-dimethyl-1-propan-2-yloxyocta-2,6-diene
SMILESCC(C)=CCC/C(C)=C/COC(C)C
InChIInChI=1S/C13H24O/c1-11(2)7-6-8-13(5)9-10-14-12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+
InChIKeyITQOWFLOOIUZRC-UKTHLTGXSA-N
MW196.33 g/mol
LogP4.10
Rot. Bonds6

About (2E)-3,7-dimethyl-1-propan-2-yloxyocta-2,6-diene

(2E)-3,7-dimethyl-1-propan-2-yloxyocta-2,6-diene (PubChem CID 21350906) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (2E)-3,7-dimethyl-1-propan-2-yloxyocta-2,6-diene.

Molecular Properties

Compound Name(2E)-3,7-dimethyl-1-propan-2-yloxyocta-2,6-diene
PubChem CID21350906
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(2E)-3,7-dimethyl-1-propan-2-yloxyocta-2,6-diene
SMILESCC(C)=CCC/C(C)=C/COC(C)C
InChIInChI=1S/C13H24O/c1-11(2)7-6-8-13(5)9-10-14-12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+
InChIKeyITQOWFLOOIUZRC-UKTHLTGXSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.10
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

(+-)-Nerol oxide
CID 61275
(2E)-1-Ethoxy-3,7-dimethyl-2,6-octadiene
CID 5365847
Digeranyl ether
CID 6441535
4,8-Dimethyl-3,7-nonadien-2-ol acetate
CID 5365819
(2E)-1-Methoxy-3,7-dimethyl-2,6-octadiene
CID 5365849
2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2Z)-
CID 6436546
2,6-Octadiene, 1-methoxy-3,7-dimethyl-, (2Z)-
CID 6436330
Farnesyl methyl ether
CID 5365855
2H-Pyran, 3,6-dihydro-5-(4-methyl-3-pentenyl)-
CID 172806
Quinceoxepine
CID 131752304
3,7,11-Trimethyl-1-(3,7,11-trimethyl-dodeca-2,6,10-trienyloxy)-dodeca-2,6,10-triene
CID 9979928

Frequently Asked Questions

What is the IUPAC name of (2E)-3,7-dimethyl-1-propan-2-yloxyocta-2,6-diene?
The IUPAC name of (2E)-3,7-dimethyl-1-propan-2-yloxyocta-2,6-diene (CID 21350906) is (2E)-3,7-dimethyl-1-propan-2-yloxyocta-2,6-diene.
What is the SMILES notation for (2E)-3,7-dimethyl-1-propan-2-yloxyocta-2,6-diene?
The canonical SMILES for (2E)-3,7-dimethyl-1-propan-2-yloxyocta-2,6-diene is CC(C)=CCC/C(C)=C/COC(C)C.
What is the InChIKey of (2E)-3,7-dimethyl-1-propan-2-yloxyocta-2,6-diene?
The InChIKey is ITQOWFLOOIUZRC-UKTHLTGXSA-N. The full InChI is InChI=1S/C13H24O/c1-11(2)7-6-8-13(5)9-10-14-12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+.
What are the key properties of (2E)-3,7-dimethyl-1-propan-2-yloxyocta-2,6-diene?
(2E)-3,7-dimethyl-1-propan-2-yloxyocta-2,6-diene has a molecular weight of 196.33 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,7-dimethyl-1-propan-2-yloxyocta-2,6-diene is sourced from PubChem (CID 21350906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).