(E)-10,10-dimethylundec-5-ene

C13H26 — CID 142794628

IUPAC(E)-10,10-dimethylundec-5-ene
SMILESCCCC/C=C/CCCC(C)(C)C
InChIInChI=1S/C13H26/c1-5-6-7-8-9-10-11-12-13(2,3)4/h8-9H,5-7,10-12H2,1-4H3/b9-8+
InChIKeyZCAQQZNQPUCAPR-CMDGGOBGSA-N
MW182.35 g/mol
LogP4.95
Rot. Bonds6

About (E)-10,10-dimethylundec-5-ene

(E)-10,10-dimethylundec-5-ene (PubChem CID 142794628) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is (E)-10,10-dimethylundec-5-ene.

Molecular Properties

Compound Name(E)-10,10-dimethylundec-5-ene
PubChem CID142794628
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name(E)-10,10-dimethylundec-5-ene
SMILESCCCC/C=C/CCCC(C)(C)C
InChIInChI=1S/C13H26/c1-5-6-7-8-9-10-11-12-13(2,3)4/h8-9H,5-7,10-12H2,1-4H3/b9-8+
InChIKeyZCAQQZNQPUCAPR-CMDGGOBGSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2,2-dimethylnonadec-7-ene
CID 176613705
(4Z,7Z)-12,12-dimethyltrideca-4,7-diene
CID 176739727
(Z)-2,2-dimethyldodec-5-ene
CID 153455160
(6Z,9Z)-17,17-dimethyloctadeca-6,9-diene
CID 140816107
(3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene
CID 140672812
2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane
CID 160564214
2,2-dimethylhexane
CID 169424592
dec-5-ene;trihydrobromide
CID 175802238
(Z)-1-(4,4-dimethylpentyldisulfanyl)dec-3-ene
CID 164776938
(Z)-6,6-dimethylhept-1-en-1-amine
CID 89037206
azane;2,2-dimethylhexane
CID 161105081
2-methylheptadec-12-en-2-ol
CID 90988824

Frequently Asked Questions

What is the IUPAC name of (E)-10,10-dimethylundec-5-ene?
The IUPAC name of (E)-10,10-dimethylundec-5-ene (CID 142794628) is (E)-10,10-dimethylundec-5-ene.
What is the SMILES notation for (E)-10,10-dimethylundec-5-ene?
The canonical SMILES for (E)-10,10-dimethylundec-5-ene is CCCC/C=C/CCCC(C)(C)C.
What is the InChIKey of (E)-10,10-dimethylundec-5-ene?
The InChIKey is ZCAQQZNQPUCAPR-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H26/c1-5-6-7-8-9-10-11-12-13(2,3)4/h8-9H,5-7,10-12H2,1-4H3/b9-8+.
What are the key properties of (E)-10,10-dimethylundec-5-ene?
(E)-10,10-dimethylundec-5-ene has a molecular weight of 182.35 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10,10-dimethylundec-5-ene is sourced from PubChem (CID 142794628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).