7-[tri(propan-2-yloxy)methyl]pentadec-5-ene

C25H50O3 — CID 150643499

IUPAC7-[tri(propan-2-yloxy)methyl]pentadec-5-ene
SMILESCCCCC=CC(CCCCCCCC)C(OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C25H50O3/c1-9-11-13-15-16-18-20-24(19-17-14-12-10-2)25(26-21(3)4,27-22(5)6)28-23(7)8/h17,19,21-24H,9-16,18,20H2,1-8H3
InChIKeyJAJZHXDZRUOWTE-UHFFFAOYSA-N
MW398.67 g/mol
LogP8.03
Rot. Bonds18

About 7-[tri(propan-2-yloxy)methyl]pentadec-5-ene

7-[tri(propan-2-yloxy)methyl]pentadec-5-ene (PubChem CID 150643499) has the molecular formula C25H50O3 and a molecular weight of 398.67 g/mol. Its IUPAC name is 7-[tri(propan-2-yloxy)methyl]pentadec-5-ene.

Molecular Properties

Compound Name7-[tri(propan-2-yloxy)methyl]pentadec-5-ene
PubChem CID150643499
Molecular FormulaC25H50O3
Molecular Weight398.67 g/mol
Exact Mass398.38
IUPAC Name7-[tri(propan-2-yloxy)methyl]pentadec-5-ene
SMILESCCCCC=CC(CCCCCCCC)C(OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C25H50O3/c1-9-11-13-15-16-18-20-24(19-17-14-12-10-2)25(26-21(3)4,27-22(5)6)28-23(7)8/h17,19,21-24H,9-16,18,20H2,1-8H3
InChIKeyJAJZHXDZRUOWTE-UHFFFAOYSA-N
XLogP8.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.67
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-(1,1-dichloroethyl)hexadec-6-ene
CID 150712657
7-methylhexadec-5-ene
CID 150059561
(Z)-2-methyloct-3-ene;octane
CID 159051061
1-chloro-4-(triethoxymethyl)dodec-2-ene
CID 151976903
(E,11S)-11-methyltricos-9-ene
CID 163215390
(E)-10-methylheptadec-8-ene
CID 10923034
1-iodo-4-(tributoxymethyl)dodec-2-ene
CID 150616495
(E)-2-methylheptadec-8-ene
CID 20541049
2-methylhenicos-9-ene
CID 54211724
(Z)-22-methyltricos-9-ene
CID 152752766
(E)-2-methylheptadec-7-ene
CID 173124832
9,10-dioctyloctadeca-7,11-diene
CID 173120989

Frequently Asked Questions

What is the IUPAC name of 7-[tri(propan-2-yloxy)methyl]pentadec-5-ene?
The IUPAC name of 7-[tri(propan-2-yloxy)methyl]pentadec-5-ene (CID 150643499) is 7-[tri(propan-2-yloxy)methyl]pentadec-5-ene.
What is the SMILES notation for 7-[tri(propan-2-yloxy)methyl]pentadec-5-ene?
The canonical SMILES for 7-[tri(propan-2-yloxy)methyl]pentadec-5-ene is CCCCC=CC(CCCCCCCC)C(OC(C)C)(OC(C)C)OC(C)C.
What is the InChIKey of 7-[tri(propan-2-yloxy)methyl]pentadec-5-ene?
The InChIKey is JAJZHXDZRUOWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O3/c1-9-11-13-15-16-18-20-24(19-17-14-12-10-2)25(26-21(3)4,27-22(5)6)28-23(7)8/h17,19,21-24H,9-16,18,20H2,1-8H3.
What are the key properties of 7-[tri(propan-2-yloxy)methyl]pentadec-5-ene?
7-[tri(propan-2-yloxy)methyl]pentadec-5-ene has a molecular weight of 398.67 g/mol, XLogP of 8.03, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tri(propan-2-yloxy)methyl]pentadec-5-ene is sourced from PubChem (CID 150643499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).