(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene

C30H54 — CID 139760940

IUPAC(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
SMILESC1=C(C2=C/CCCCCCCCCCCCC/2)\CCCCCCCCCCCCC/1
InChIInChI=1S/C30H54/c1-2-6-10-14-18-22-26-29(25-21-17-13-9-5-1)30-27-23-19-15-11-7-3-4-8-12-16-20-24-28-30/h25,27H,1-24,26,28H2/b29-25+,30-27+
InChIKeyQRTXMQLSBQTWHN-CODXMVPBSA-N
MW414.76 g/mol
LogP11.01
Rot. Bonds1

About (1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene

(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene (PubChem CID 139760940) has the molecular formula C30H54 and a molecular weight of 414.76 g/mol. Its IUPAC name is (1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene.

Molecular Properties

Compound Name(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
PubChem CID139760940
Molecular FormulaC30H54
Molecular Weight414.76 g/mol
Exact Mass414.42
IUPAC Name(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
SMILESC1=C(C2=C/CCCCCCCCCCCCC/2)\CCCCCCCCCCCCC/1
InChIInChI=1S/C30H54/c1-2-6-10-14-18-22-26-29(25-21-17-13-9-5-1)30-27-23-19-15-11-7-3-4-8-12-16-20-24-28-30/h25,27H,1-24,26,28H2/b29-25+,30-27+
InChIKeyQRTXMQLSBQTWHN-CODXMVPBSA-N
XLogP11.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.76
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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chloro-ethyl-dimethylsilane;1-(cyclohepten-1-yl)cycloheptene
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2-(cyclohepten-1-yl)cyclopent-2-en-1-one
CID 130164243
8-[(1E)-cycloocten-1-yl]-2,3,4,5,6,7-hexahydroazocine
CID 67389294
[4-(cyclohepten-1-yl)cyclohept-4-en-1-yl]-trimethylsilane
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Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene?
The IUPAC name of (1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene (CID 139760940) is (1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene.
What is the SMILES notation for (1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene?
The canonical SMILES for (1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene is C1=C(C2=C/CCCCCCCCCCCCC/2)\CCCCCCCCCCCCC/1.
What is the InChIKey of (1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene?
The InChIKey is QRTXMQLSBQTWHN-CODXMVPBSA-N. The full InChI is InChI=1S/C30H54/c1-2-6-10-14-18-22-26-29(25-21-17-13-9-5-1)30-27-23-19-15-11-7-3-4-8-12-16-20-24-28-30/h25,27H,1-24,26,28H2/b29-25+,30-27+.
What are the key properties of (1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene?
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene has a molecular weight of 414.76 g/mol, XLogP of 11.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene is sourced from PubChem (CID 139760940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).