ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene

C14H28 — CID 143054449

IUPACethane;(1Z,3Z)-5-methylcyclonona-1,3-diene
SMILESCC.CC.CC1/C=C\C=C/CCCC1
InChIInChI=1S/C10H16.2C2H6/c1-10-8-6-4-2-3-5-7-9-10;2*1-2/h2,4,6,8,10H,3,5,7,9H2,1H3;2*1-2H3/b4-2-,8-6-;;
InChIKeyKRBLIHPVMDZHQP-AYYDRRSASA-N
MW196.38 g/mol
LogP5.36
Rot. Bonds

About ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene

ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene (PubChem CID 143054449) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene.

Molecular Properties

Compound Nameethane;(1Z,3Z)-5-methylcyclonona-1,3-diene
PubChem CID143054449
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Nameethane;(1Z,3Z)-5-methylcyclonona-1,3-diene
SMILESCC.CC.CC1/C=C\C=C/CCCC1
InChIInChI=1S/C10H16.2C2H6/c1-10-8-6-4-2-3-5-7-9-10;2*1-2/h2,4,6,8,10H,3,5,7,9H2,1H3;2*1-2H3/b4-2-,8-6-;;
InChIKeyKRBLIHPVMDZHQP-AYYDRRSASA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene?
The IUPAC name of ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene (CID 143054449) is ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene.
What is the SMILES notation for ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene?
The canonical SMILES for ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene is CC.CC.CC1/C=C\C=C/CCCC1.
What is the InChIKey of ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene?
The InChIKey is KRBLIHPVMDZHQP-AYYDRRSASA-N. The full InChI is InChI=1S/C10H16.2C2H6/c1-10-8-6-4-2-3-5-7-9-10;2*1-2/h2,4,6,8,10H,3,5,7,9H2,1H3;2*1-2H3/b4-2-,8-6-;;.
What are the key properties of ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene?
ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene has a molecular weight of 196.38 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene is sourced from PubChem (CID 143054449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).