(1S,4E,8E,12R)-12-chlorocyclododeca-4,8-dien-1-ol

C12H19ClO — CID 13049643

IUPAC(1S,4E,8E,12R)-12-chlorocyclododeca-4,8-dien-1-ol
SMILESO[C@H]1CC/C=C/CC/C=C/CC[C@H]1Cl
InChIInChI=1S/C12H19ClO/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h3-6,11-12,14H,1-2,7-10H2/b5-3+,6-4+/t11-,12+/m1/s1
InChIKeyZUBTWKDVFMKNRR-NTSHVTMPSA-N
MW214.74 g/mol
LogP3.42
Rot. Bonds

About (1S,4E,8E,12R)-12-chlorocyclododeca-4,8-dien-1-ol

(1S,4E,8E,12R)-12-chlorocyclododeca-4,8-dien-1-ol (PubChem CID 13049643) has the molecular formula C12H19ClO and a molecular weight of 214.74 g/mol. Its IUPAC name is (1S,4E,8E,12R)-12-chlorocyclododeca-4,8-dien-1-ol.

Molecular Properties

Compound Name(1S,4E,8E,12R)-12-chlorocyclododeca-4,8-dien-1-ol
PubChem CID13049643
Molecular FormulaC12H19ClO
Molecular Weight214.74 g/mol
Exact Mass214.11
IUPAC Name(1S,4E,8E,12R)-12-chlorocyclododeca-4,8-dien-1-ol
SMILESO[C@H]1CC/C=C/CC/C=C/CC[C@H]1Cl
InChIInChI=1S/C12H19ClO/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h3-6,11-12,14H,1-2,7-10H2/b5-3+,6-4+/t11-,12+/m1/s1
InChIKeyZUBTWKDVFMKNRR-NTSHVTMPSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-2-chlorocyclooctan-1-ol
CID 15084407
2-chlorocyclooctan-1-ol
CID 15084406
2,9-dichloro-13λ4-thiabicyclo[8.2.1]tridec-5-ene 13-oxide
CID 5248302
chlorosilane;3,4-dichlorocyclohexene
CID 173164306
(1S,2R,5E,9Z,12R)-13-oxabicyclo[10.1.0]trideca-5,9-dien-2-ol
CID 102330516
(1R,8S)-8-(methylamino)cyclooct-4-en-1-ol
CID 99130605
(4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid
CID 5337761
(1S,8R)-8-(dimethylamino)cyclooct-4-en-1-ol
CID 124665894
(4Z)-cyclooct-4-en-1-ol
CID 5381510
(1R,8R)-8-pyrrolidin-1-ylcyclooct-4-en-1-ol
CID 125452379
(1Z,3Z)-cyclodeca-1,3,7-triene
CID 173030744
(7E,11Z)-cyclotetradeca-1,3,7,11-tetraene
CID 173030521

Frequently Asked Questions

What is the IUPAC name of (1S,4E,8E,12R)-12-chlorocyclododeca-4,8-dien-1-ol?
The IUPAC name of (1S,4E,8E,12R)-12-chlorocyclododeca-4,8-dien-1-ol (CID 13049643) is (1S,4E,8E,12R)-12-chlorocyclododeca-4,8-dien-1-ol.
What is the SMILES notation for (1S,4E,8E,12R)-12-chlorocyclododeca-4,8-dien-1-ol?
The canonical SMILES for (1S,4E,8E,12R)-12-chlorocyclododeca-4,8-dien-1-ol is O[C@H]1CC/C=C/CC/C=C/CC[C@H]1Cl.
What is the InChIKey of (1S,4E,8E,12R)-12-chlorocyclododeca-4,8-dien-1-ol?
The InChIKey is ZUBTWKDVFMKNRR-NTSHVTMPSA-N. The full InChI is InChI=1S/C12H19ClO/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h3-6,11-12,14H,1-2,7-10H2/b5-3+,6-4+/t11-,12+/m1/s1.
What are the key properties of (1S,4E,8E,12R)-12-chlorocyclododeca-4,8-dien-1-ol?
(1S,4E,8E,12R)-12-chlorocyclododeca-4,8-dien-1-ol has a molecular weight of 214.74 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4E,8E,12R)-12-chlorocyclododeca-4,8-dien-1-ol is sourced from PubChem (CID 13049643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).