10-methyl-7-pent-1-enyltetradeca-5,7-diene

C20H36 — CID 173291394

IUPAC10-methyl-7-pent-1-enyltetradeca-5,7-diene
SMILESCCCC=CC(C=CCCCC)=CCC(C)CCCC
InChIInChI=1S/C20H36/c1-5-8-11-13-16-20(15-12-9-6-2)18-17-19(4)14-10-7-3/h12-13,15-16,18-19H,5-11,14,17H2,1-4H3
InChIKeyHWFPISMDLRRKGZ-UHFFFAOYSA-N
MW276.51 g/mol
LogP7.23
Rot. Bonds12

About 10-methyl-7-pent-1-enyltetradeca-5,7-diene

10-methyl-7-pent-1-enyltetradeca-5,7-diene (PubChem CID 173291394) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 10-methyl-7-pent-1-enyltetradeca-5,7-diene.

Molecular Properties

Compound Name10-methyl-7-pent-1-enyltetradeca-5,7-diene
PubChem CID173291394
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name10-methyl-7-pent-1-enyltetradeca-5,7-diene
SMILESCCCC=CC(C=CCCCC)=CCC(C)CCCC
InChIInChI=1S/C20H36/c1-5-8-11-13-16-20(15-12-9-6-2)18-17-19(4)14-10-7-3/h12-13,15-16,18-19H,5-11,14,17H2,1-4H3
InChIKeyHWFPISMDLRRKGZ-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

8-methyltridec-5-ene
CID 123857568
(E)-5-methyltetradec-7-ene
CID 173194503
3-methylundec-7-enal
CID 54135562
(9E,11E)-10-[(Z)-hex-1-enyl]tetracosa-9,11-dienal
CID 140786864
(E)-20-methyloctacos-4-ene
CID 173194294
3,6-dimethyldeca-1,3-diene
CID 91478498
10-methylheptadec-2-enoic acid
CID 176885853
(2E,4E)-7-methylundeca-2,4-dienoic acid
CID 19761491
(E)-10-methyloctadec-7-ene
CID 173194246
hept-3-en-2-one;oct-3-en-2-one
CID 159843047
(Z)-5-methylundec-2-enoic acid
CID 155211364
9,16-dimethyltetracos-11-ene
CID 123705440

Frequently Asked Questions

What is the IUPAC name of 10-methyl-7-pent-1-enyltetradeca-5,7-diene?
The IUPAC name of 10-methyl-7-pent-1-enyltetradeca-5,7-diene (CID 173291394) is 10-methyl-7-pent-1-enyltetradeca-5,7-diene.
What is the SMILES notation for 10-methyl-7-pent-1-enyltetradeca-5,7-diene?
The canonical SMILES for 10-methyl-7-pent-1-enyltetradeca-5,7-diene is CCCC=CC(C=CCCCC)=CCC(C)CCCC.
What is the InChIKey of 10-methyl-7-pent-1-enyltetradeca-5,7-diene?
The InChIKey is HWFPISMDLRRKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-5-8-11-13-16-20(15-12-9-6-2)18-17-19(4)14-10-7-3/h12-13,15-16,18-19H,5-11,14,17H2,1-4H3.
What are the key properties of 10-methyl-7-pent-1-enyltetradeca-5,7-diene?
10-methyl-7-pent-1-enyltetradeca-5,7-diene has a molecular weight of 276.51 g/mol, XLogP of 7.23, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-7-pent-1-enyltetradeca-5,7-diene is sourced from PubChem (CID 173291394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).