(1Z)-cyclononacosa-1,3-diene

C29H54 — CID 162365218

IUPAC(1Z)-cyclononacosa-1,3-diene
SMILESC1=CCCCCCCCCCCCCCCCCCCCCCCCCC/C=C\1
InChIInChI=1S/C29H54/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-4H,5-29H2/b3-1-,4-2?
InChIKeyMRYSGYLWSODQHI-PBIXIIOPSA-N
MW402.75 g/mol
LogP10.86
Rot. Bonds

About (1Z)-cyclononacosa-1,3-diene

(1Z)-cyclononacosa-1,3-diene (PubChem CID 162365218) has the molecular formula C29H54 and a molecular weight of 402.75 g/mol. Its IUPAC name is (1Z)-cyclononacosa-1,3-diene.

Molecular Properties

Compound Name(1Z)-cyclononacosa-1,3-diene
PubChem CID162365218
Molecular FormulaC29H54
Molecular Weight402.75 g/mol
Exact Mass402.42
IUPAC Name(1Z)-cyclononacosa-1,3-diene
SMILESC1=CCCCCCCCCCCCCCCCCCCCCCCCCC/C=C\1
InChIInChI=1S/C29H54/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-4H,5-29H2/b3-1-,4-2?
InChIKeyMRYSGYLWSODQHI-PBIXIIOPSA-N
XLogP10.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.75
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1Z)-cyclononacosa-1,3-diene?
The IUPAC name of (1Z)-cyclononacosa-1,3-diene (CID 162365218) is (1Z)-cyclononacosa-1,3-diene.
What is the SMILES notation for (1Z)-cyclononacosa-1,3-diene?
The canonical SMILES for (1Z)-cyclononacosa-1,3-diene is C1=CCCCCCCCCCCCCCCCCCCCCCCCCC/C=C\1.
What is the InChIKey of (1Z)-cyclononacosa-1,3-diene?
The InChIKey is MRYSGYLWSODQHI-PBIXIIOPSA-N. The full InChI is InChI=1S/C29H54/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-4H,5-29H2/b3-1-,4-2?.
What are the key properties of (1Z)-cyclononacosa-1,3-diene?
(1Z)-cyclononacosa-1,3-diene has a molecular weight of 402.75 g/mol, XLogP of 10.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-cyclononacosa-1,3-diene is sourced from PubChem (CID 162365218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).