(4E,8E)-12-methoxycyclododeca-4,8-dien-1-ol

C13H22O2 — CID 6384065

IUPAC(4E,8E)-12-methoxycyclododeca-4,8-dien-1-ol
SMILESCOC1CC/C=C/CC/C=C/CCC1O
InChIInChI=1S/C13H22O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12(13)14/h4-7,12-14H,2-3,8-11H2,1H3/b6-4+,7-5+
InChIKeyNZJRBFVCZFRVNJ-YDFGWWAZSA-N
MW210.32 g/mol
LogP2.83
Rot. Bonds1

About (4E,8E)-12-methoxycyclododeca-4,8-dien-1-ol

(4E,8E)-12-methoxycyclododeca-4,8-dien-1-ol (PubChem CID 6384065) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (4E,8E)-12-methoxycyclododeca-4,8-dien-1-ol.

Molecular Properties

Compound Name(4E,8E)-12-methoxycyclododeca-4,8-dien-1-ol
PubChem CID6384065
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(4E,8E)-12-methoxycyclododeca-4,8-dien-1-ol
SMILESCOC1CC/C=C/CC/C=C/CCC1O
InChIInChI=1S/C13H22O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12(13)14/h4-7,12-14H,2-3,8-11H2,1H3/b6-4+,7-5+
InChIKeyNZJRBFVCZFRVNJ-YDFGWWAZSA-N
XLogP2.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Selachyl alcohol
CID 5282282
Noladin Ether
CID 6483057
Diglycerol, monoether with 9-octadecen-1-ol
CID 6437995
(1R,2R,Z)-Cyclooct-5-ene-1,2-diol
CID 11094725
3-[((8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenyl)oxy]-propane-1,2-diol
CID 44243138
2-O-(9-Octadecenyl)glycerol
CID 10783536
1-O-(9Z-octadecenyl)-sn-glycerol
CID 53242580
5-Cis-9-trans-cyclododecadiene-1,2-cis-diol
CID 5364365
2-[((Z)-Docos-13-enyl)oxy]-propane-1,3-diol
CID 44360582
2-[((Z)-Octadeca-9,12-dienyl)oxy]-propane-1,3-diol
CID 44360595
(2S,10E)-10-Tridecen-2-ol
CID 45101655
(6S,7S,9Z)-nonadeca-9,18-diene-6,7-diol
CID 21597697

Frequently Asked Questions

What is the IUPAC name of (4E,8E)-12-methoxycyclododeca-4,8-dien-1-ol?
The IUPAC name of (4E,8E)-12-methoxycyclododeca-4,8-dien-1-ol (CID 6384065) is (4E,8E)-12-methoxycyclododeca-4,8-dien-1-ol.
What is the SMILES notation for (4E,8E)-12-methoxycyclododeca-4,8-dien-1-ol?
The canonical SMILES for (4E,8E)-12-methoxycyclododeca-4,8-dien-1-ol is COC1CC/C=C/CC/C=C/CCC1O.
What is the InChIKey of (4E,8E)-12-methoxycyclododeca-4,8-dien-1-ol?
The InChIKey is NZJRBFVCZFRVNJ-YDFGWWAZSA-N. The full InChI is InChI=1S/C13H22O2/c1-15-13-11-9-7-5-3-2-4-6-8-10-12(13)14/h4-7,12-14H,2-3,8-11H2,1H3/b6-4+,7-5+.
What are the key properties of (4E,8E)-12-methoxycyclododeca-4,8-dien-1-ol?
(4E,8E)-12-methoxycyclododeca-4,8-dien-1-ol has a molecular weight of 210.32 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-12-methoxycyclododeca-4,8-dien-1-ol is sourced from PubChem (CID 6384065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).