ethane;(1Z,3Z)-5-methyl-9-methylidenecyclonona-1,3-diene

C13H22 — CID 143506465

IUPACethane;(1Z,3Z)-5-methyl-9-methylidenecyclonona-1,3-diene
SMILESC=C1/C=C\C=C/C(C)CCC1.CC
InChIInChI=1S/C11H16.C2H6/c1-10-6-3-4-7-11(2)9-5-8-10;1-2/h3-4,6-7,11H,1,5,8-9H2,2H3;1-2H3/b6-3-,7-4-;
InChIKeyFEUTWZHOGQFVDA-VZQQMBJGSA-N
MW178.32 g/mol
LogP4.50
Rot. Bonds

About ethane;(1Z,3Z)-5-methyl-9-methylidenecyclonona-1,3-diene

ethane;(1Z,3Z)-5-methyl-9-methylidenecyclonona-1,3-diene (PubChem CID 143506465) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is ethane;(1Z,3Z)-5-methyl-9-methylidenecyclonona-1,3-diene.

Molecular Properties

Compound Nameethane;(1Z,3Z)-5-methyl-9-methylidenecyclonona-1,3-diene
PubChem CID143506465
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Nameethane;(1Z,3Z)-5-methyl-9-methylidenecyclonona-1,3-diene
SMILESC=C1/C=C\C=C/C(C)CCC1.CC
InChIInChI=1S/C11H16.C2H6/c1-10-6-3-4-7-11(2)9-5-8-10;1-2/h3-4,6-7,11H,1,5,8-9H2,2H3;1-2H3/b6-3-,7-4-;
InChIKeyFEUTWZHOGQFVDA-VZQQMBJGSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.50
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-methyl-9-methylidenecyclonona-1,3-diene?
The IUPAC name of ethane;(1Z,3Z)-5-methyl-9-methylidenecyclonona-1,3-diene (CID 143506465) is ethane;(1Z,3Z)-5-methyl-9-methylidenecyclonona-1,3-diene.
What is the SMILES notation for ethane;(1Z,3Z)-5-methyl-9-methylidenecyclonona-1,3-diene?
The canonical SMILES for ethane;(1Z,3Z)-5-methyl-9-methylidenecyclonona-1,3-diene is C=C1/C=C\C=C/C(C)CCC1.CC.
What is the InChIKey of ethane;(1Z,3Z)-5-methyl-9-methylidenecyclonona-1,3-diene?
The InChIKey is FEUTWZHOGQFVDA-VZQQMBJGSA-N. The full InChI is InChI=1S/C11H16.C2H6/c1-10-6-3-4-7-11(2)9-5-8-10;1-2/h3-4,6-7,11H,1,5,8-9H2,2H3;1-2H3/b6-3-,7-4-;.
What are the key properties of ethane;(1Z,3Z)-5-methyl-9-methylidenecyclonona-1,3-diene?
ethane;(1Z,3Z)-5-methyl-9-methylidenecyclonona-1,3-diene has a molecular weight of 178.32 g/mol, XLogP of 4.50, 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-methyl-9-methylidenecyclonona-1,3-diene is sourced from PubChem (CID 143506465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).