(3E)-cyclododec-3-ene-1,2-diol

C12H22O2 — CID 134889571

IUPAC(3E)-cyclododec-3-ene-1,2-diol
SMILESOC1/C=C/CCCCCCCCC1O
InChIInChI=1S/C12H22O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h7,9,11-14H,1-6,8,10H2/b9-7+
InChIKeyAHXIONNOXQTDNQ-VQHVLOKHSA-N
MW198.31 g/mol
LogP2.40
Rot. Bonds

About (3E)-cyclododec-3-ene-1,2-diol

(3E)-cyclododec-3-ene-1,2-diol (PubChem CID 134889571) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (3E)-cyclododec-3-ene-1,2-diol.

Molecular Properties

Compound Name(3E)-cyclododec-3-ene-1,2-diol
PubChem CID134889571
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(3E)-cyclododec-3-ene-1,2-diol
SMILESOC1/C=C/CCCCCCCCC1O
InChIInChI=1S/C12H22O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h7,9,11-14H,1-6,8,10H2/b9-7+
InChIKeyAHXIONNOXQTDNQ-VQHVLOKHSA-N
XLogP2.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-cyclododec-3-ene-1,2-diol?
The IUPAC name of (3E)-cyclododec-3-ene-1,2-diol (CID 134889571) is (3E)-cyclododec-3-ene-1,2-diol.
What is the SMILES notation for (3E)-cyclododec-3-ene-1,2-diol?
The canonical SMILES for (3E)-cyclododec-3-ene-1,2-diol is OC1/C=C/CCCCCCCCC1O.
What is the InChIKey of (3E)-cyclododec-3-ene-1,2-diol?
The InChIKey is AHXIONNOXQTDNQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H22O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h7,9,11-14H,1-6,8,10H2/b9-7+.
What are the key properties of (3E)-cyclododec-3-ene-1,2-diol?
(3E)-cyclododec-3-ene-1,2-diol has a molecular weight of 198.31 g/mol, XLogP of 2.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-cyclododec-3-ene-1,2-diol is sourced from PubChem (CID 134889571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).