(2Z,4Z)-1-cyclopropylcyclonona-2,4-dien-1-ol

C12H18O — CID 12742760

IUPAC(2Z,4Z)-1-cyclopropylcyclonona-2,4-dien-1-ol
SMILESOC1(C2CC2)/C=C\C=C/CCCC1
InChIInChI=1S/C12H18O/c13-12(11-7-8-11)9-5-3-1-2-4-6-10-12/h1,3,5,9,11,13H,2,4,6-8,10H2/b3-1-,9-5-
InChIKeyWNRIFQNRFVZSPN-AHHJVZSRSA-N
MW178.28 g/mol
LogP2.81
Rot. Bonds1

About (2Z,4Z)-1-cyclopropylcyclonona-2,4-dien-1-ol

(2Z,4Z)-1-cyclopropylcyclonona-2,4-dien-1-ol (PubChem CID 12742760) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (2Z,4Z)-1-cyclopropylcyclonona-2,4-dien-1-ol.

Molecular Properties

Compound Name(2Z,4Z)-1-cyclopropylcyclonona-2,4-dien-1-ol
PubChem CID12742760
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(2Z,4Z)-1-cyclopropylcyclonona-2,4-dien-1-ol
SMILESOC1(C2CC2)/C=C\C=C/CCCC1
InChIInChI=1S/C12H18O/c13-12(11-7-8-11)9-5-3-1-2-4-6-10-12/h1,3,5,9,11,13H,2,4,6-8,10H2/b3-1-,9-5-
InChIKeyWNRIFQNRFVZSPN-AHHJVZSRSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1-cyclopropylcyclonona-2,4-dien-1-ol?
The IUPAC name of (2Z,4Z)-1-cyclopropylcyclonona-2,4-dien-1-ol (CID 12742760) is (2Z,4Z)-1-cyclopropylcyclonona-2,4-dien-1-ol.
What is the SMILES notation for (2Z,4Z)-1-cyclopropylcyclonona-2,4-dien-1-ol?
The canonical SMILES for (2Z,4Z)-1-cyclopropylcyclonona-2,4-dien-1-ol is OC1(C2CC2)/C=C\C=C/CCCC1.
What is the InChIKey of (2Z,4Z)-1-cyclopropylcyclonona-2,4-dien-1-ol?
The InChIKey is WNRIFQNRFVZSPN-AHHJVZSRSA-N. The full InChI is InChI=1S/C12H18O/c13-12(11-7-8-11)9-5-3-1-2-4-6-10-12/h1,3,5,9,11,13H,2,4,6-8,10H2/b3-1-,9-5-.
What are the key properties of (2Z,4Z)-1-cyclopropylcyclonona-2,4-dien-1-ol?
(2Z,4Z)-1-cyclopropylcyclonona-2,4-dien-1-ol has a molecular weight of 178.28 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1-cyclopropylcyclonona-2,4-dien-1-ol is sourced from PubChem (CID 12742760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).