(1Z,3Z,5Z)-2-bromocyclododeca-1,3,5-trien-1-ol

C12H17BrO — CID 163322978

IUPAC(1Z,3Z,5Z)-2-bromocyclododeca-1,3,5-trien-1-ol
SMILESO/C1=C(Br)/C=C\C=C/CCCCCC1
InChIInChI=1S/C12H17BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h3,5,7,9,14H,1-2,4,6,8,10H2/b5-3-,9-7-,12-11-
InChIKeyFOBIRPRPKAAOBS-FQHIMIKRSA-N
MW257.17 g/mol
LogP4.62
Rot. Bonds

About (1Z,3Z,5Z)-2-bromocyclododeca-1,3,5-trien-1-ol

(1Z,3Z,5Z)-2-bromocyclododeca-1,3,5-trien-1-ol (PubChem CID 163322978) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is (1Z,3Z,5Z)-2-bromocyclododeca-1,3,5-trien-1-ol.

Molecular Properties

Compound Name(1Z,3Z,5Z)-2-bromocyclododeca-1,3,5-trien-1-ol
PubChem CID163322978
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name(1Z,3Z,5Z)-2-bromocyclododeca-1,3,5-trien-1-ol
SMILESO/C1=C(Br)/C=C\C=C/CCCCCC1
InChIInChI=1S/C12H17BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h3,5,7,9,14H,1-2,4,6,8,10H2/b5-3-,9-7-,12-11-
InChIKeyFOBIRPRPKAAOBS-FQHIMIKRSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z)-2-bromocyclododeca-1,3,5-trien-1-ol?
The IUPAC name of (1Z,3Z,5Z)-2-bromocyclododeca-1,3,5-trien-1-ol (CID 163322978) is (1Z,3Z,5Z)-2-bromocyclododeca-1,3,5-trien-1-ol.
What is the SMILES notation for (1Z,3Z,5Z)-2-bromocyclododeca-1,3,5-trien-1-ol?
The canonical SMILES for (1Z,3Z,5Z)-2-bromocyclododeca-1,3,5-trien-1-ol is O/C1=C(Br)/C=C\C=C/CCCCCC1.
What is the InChIKey of (1Z,3Z,5Z)-2-bromocyclododeca-1,3,5-trien-1-ol?
The InChIKey is FOBIRPRPKAAOBS-FQHIMIKRSA-N. The full InChI is InChI=1S/C12H17BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h3,5,7,9,14H,1-2,4,6,8,10H2/b5-3-,9-7-,12-11-.
What are the key properties of (1Z,3Z,5Z)-2-bromocyclododeca-1,3,5-trien-1-ol?
(1Z,3Z,5Z)-2-bromocyclododeca-1,3,5-trien-1-ol has a molecular weight of 257.17 g/mol, XLogP of 4.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z)-2-bromocyclododeca-1,3,5-trien-1-ol is sourced from PubChem (CID 163322978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).