7-(5,5-diethyldodec-8-en-6-yloxy)-8,8-diethyldodec-4-ene

C32H62O — CID 175009732

IUPAC7-(5,5-diethyldodec-8-en-6-yloxy)-8,8-diethyldodec-4-ene
SMILESCCCC=CCC(OC(CC=CCCC)C(CC)(CC)CCCC)C(CC)(CC)CCCC
InChIInChI=1S/C32H62O/c1-9-17-21-23-25-29(31(13-5,14-6)27-19-11-3)33-30(26-24-22-18-10-2)32(15-7,16-8)28-20-12-4/h21-24,29-30H,9-20,25-28H2,1-8H3
InChIKeyCIERRNKTJDZBLY-UHFFFAOYSA-N
MW462.85 g/mol
LogP11.23
Rot. Bonds22

About 7-(5,5-diethyldodec-8-en-6-yloxy)-8,8-diethyldodec-4-ene

7-(5,5-diethyldodec-8-en-6-yloxy)-8,8-diethyldodec-4-ene (PubChem CID 175009732) has the molecular formula C32H62O and a molecular weight of 462.85 g/mol. Its IUPAC name is 7-(5,5-diethyldodec-8-en-6-yloxy)-8,8-diethyldodec-4-ene.

Molecular Properties

Compound Name7-(5,5-diethyldodec-8-en-6-yloxy)-8,8-diethyldodec-4-ene
PubChem CID175009732
Molecular FormulaC32H62O
Molecular Weight462.85 g/mol
Exact Mass462.48
IUPAC Name7-(5,5-diethyldodec-8-en-6-yloxy)-8,8-diethyldodec-4-ene
SMILESCCCC=CCC(OC(CC=CCCC)C(CC)(CC)CCCC)C(CC)(CC)CCCC
InChIInChI=1S/C32H62O/c1-9-17-21-23-25-29(31(13-5,14-6)27-19-11-3)33-30(26-24-22-18-10-2)32(15-7,16-8)28-20-12-4/h21-24,29-30H,9-20,25-28H2,1-8H3
InChIKeyCIERRNKTJDZBLY-UHFFFAOYSA-N
XLogP11.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.85
LogP ≤ 511.23
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

2-bromooct-4-ene
CID 142101254
[(E)-1-iodo-5,5-dimethylnon-1-en-4-yl]oxy-trimethylsilane
CID 152749210
pentadeca-4,10-diene
CID 54306056
(4E,9Z)-tetradeca-4,9-diene
CID 152732976
ethane;(E)-oct-4-ene
CID 142055407
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
(Z)-tridec-4-ene
CID 5362712
(Z)-tridec-6-ene;(Z)-undec-4-ene
CID 161365587
henicosa-4,14-diene
CID 91309991
4-ethyl-4-pentylnonane-3-thiol
CID 142722694
5-(trifluoromethyl)undec-7-en-5-ol
CID 71335180

Frequently Asked Questions

What is the IUPAC name of 7-(5,5-diethyldodec-8-en-6-yloxy)-8,8-diethyldodec-4-ene?
The IUPAC name of 7-(5,5-diethyldodec-8-en-6-yloxy)-8,8-diethyldodec-4-ene (CID 175009732) is 7-(5,5-diethyldodec-8-en-6-yloxy)-8,8-diethyldodec-4-ene.
What is the SMILES notation for 7-(5,5-diethyldodec-8-en-6-yloxy)-8,8-diethyldodec-4-ene?
The canonical SMILES for 7-(5,5-diethyldodec-8-en-6-yloxy)-8,8-diethyldodec-4-ene is CCCC=CCC(OC(CC=CCCC)C(CC)(CC)CCCC)C(CC)(CC)CCCC.
What is the InChIKey of 7-(5,5-diethyldodec-8-en-6-yloxy)-8,8-diethyldodec-4-ene?
The InChIKey is CIERRNKTJDZBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62O/c1-9-17-21-23-25-29(31(13-5,14-6)27-19-11-3)33-30(26-24-22-18-10-2)32(15-7,16-8)28-20-12-4/h21-24,29-30H,9-20,25-28H2,1-8H3.
What are the key properties of 7-(5,5-diethyldodec-8-en-6-yloxy)-8,8-diethyldodec-4-ene?
7-(5,5-diethyldodec-8-en-6-yloxy)-8,8-diethyldodec-4-ene has a molecular weight of 462.85 g/mol, XLogP of 11.23, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5,5-diethyldodec-8-en-6-yloxy)-8,8-diethyldodec-4-ene is sourced from PubChem (CID 175009732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).