(3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene

C18H28 — CID 173204255

IUPAC(3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene
SMILESC1=C(C2=CCCCCCCC2)/C=C\CCCCC1
InChIInChI=1S/C18H28/c1-2-6-10-14-17(13-9-5-1)18-15-11-7-3-4-8-12-16-18/h9,13-15H,1-8,10-12,16H2/b13-9-,17-14?,18-15?
InChIKeyNTDFDPGJQNUNLE-ONBLQIKGSA-N
MW244.42 g/mol
LogP6.10
Rot. Bonds1

About (3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene

(3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene (PubChem CID 173204255) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is (3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene.

Molecular Properties

Compound Name(3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene
PubChem CID173204255
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name(3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene
SMILESC1=C(C2=CCCCCCCC2)/C=C\CCCCC1
InChIInChI=1S/C18H28/c1-2-6-10-14-17(13-9-5-1)18-15-11-7-3-4-8-12-16-18/h9,13-15H,1-8,10-12,16H2/b13-9-,17-14?,18-15?
InChIKeyNTDFDPGJQNUNLE-ONBLQIKGSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene?
The IUPAC name of (3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene (CID 173204255) is (3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene.
What is the SMILES notation for (3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene?
The canonical SMILES for (3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene is C1=C(C2=CCCCCCCC2)/C=C\CCCCC1.
What is the InChIKey of (3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene?
The InChIKey is NTDFDPGJQNUNLE-ONBLQIKGSA-N. The full InChI is InChI=1S/C18H28/c1-2-6-10-14-17(13-9-5-1)18-15-11-7-3-4-8-12-16-18/h9,13-15H,1-8,10-12,16H2/b13-9-,17-14?,18-15?.
What are the key properties of (3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene?
(3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene has a molecular weight of 244.42 g/mol, XLogP of 6.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-(cyclononen-1-yl)cyclonona-1,3-diene is sourced from PubChem (CID 173204255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).