(E,10R,14R)-6,10,14,18-tetramethylnonadec-5-en-2-yne

C23H42 — CID 13100808

IUPAC(E,10R,14R)-6,10,14,18-tetramethylnonadec-5-en-2-yne
SMILESCC#CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C23H42/c1-7-8-9-14-21(4)16-11-18-23(6)19-12-17-22(5)15-10-13-20(2)3/h14,20,22-23H,9-13,15-19H2,1-6H3/b21-14+/t22-,23+/m1/s1
InChIKeyIAQVCCARGCNRJL-YSPSGYSTSA-N
MW318.59 g/mol
LogP7.79
Rot. Bonds13

About (E,10R,14R)-6,10,14,18-tetramethylnonadec-5-en-2-yne

(E,10R,14R)-6,10,14,18-tetramethylnonadec-5-en-2-yne (PubChem CID 13100808) has the molecular formula C23H42 and a molecular weight of 318.59 g/mol. Its IUPAC name is (E,10R,14R)-6,10,14,18-tetramethylnonadec-5-en-2-yne.

Molecular Properties

Compound Name(E,10R,14R)-6,10,14,18-tetramethylnonadec-5-en-2-yne
PubChem CID13100808
Molecular FormulaC23H42
Molecular Weight318.59 g/mol
Exact Mass318.33
IUPAC Name(E,10R,14R)-6,10,14,18-tetramethylnonadec-5-en-2-yne
SMILESCC#CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C23H42/c1-7-8-9-14-21(4)16-11-18-23(6)19-12-17-22(5)15-10-13-20(2)3/h14,20,22-23H,9-13,15-19H2,1-6H3/b21-14+/t22-,23+/m1/s1
InChIKeyIAQVCCARGCNRJL-YSPSGYSTSA-N
XLogP7.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.59
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,10R,14R)-6,10,14,18-tetramethylnonadec-5-en-2-yne?
The IUPAC name of (E,10R,14R)-6,10,14,18-tetramethylnonadec-5-en-2-yne (CID 13100808) is (E,10R,14R)-6,10,14,18-tetramethylnonadec-5-en-2-yne.
What is the SMILES notation for (E,10R,14R)-6,10,14,18-tetramethylnonadec-5-en-2-yne?
The canonical SMILES for (E,10R,14R)-6,10,14,18-tetramethylnonadec-5-en-2-yne is CC#CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of (E,10R,14R)-6,10,14,18-tetramethylnonadec-5-en-2-yne?
The InChIKey is IAQVCCARGCNRJL-YSPSGYSTSA-N. The full InChI is InChI=1S/C23H42/c1-7-8-9-14-21(4)16-11-18-23(6)19-12-17-22(5)15-10-13-20(2)3/h14,20,22-23H,9-13,15-19H2,1-6H3/b21-14+/t22-,23+/m1/s1.
What are the key properties of (E,10R,14R)-6,10,14,18-tetramethylnonadec-5-en-2-yne?
(E,10R,14R)-6,10,14,18-tetramethylnonadec-5-en-2-yne has a molecular weight of 318.59 g/mol, XLogP of 7.79, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,10R,14R)-6,10,14,18-tetramethylnonadec-5-en-2-yne is sourced from PubChem (CID 13100808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).