11-(2-methyl-1,3-dioxolan-2-yl)undec-5-en-1-ol

C15H28O3 — CID 72576197

IUPAC11-(2-methyl-1,3-dioxolan-2-yl)undec-5-en-1-ol
SMILESCC1(CCCCCC=CCCCCO)OCCO1
InChIInChI=1S/C15H28O3/c1-15(17-13-14-18-15)11-9-7-5-3-2-4-6-8-10-12-16/h2,4,16H,3,5-14H2,1H3
InChIKeyKJCMFTMZXUNTOU-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.42
Rot. Bonds10

About 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-en-1-ol

11-(2-methyl-1,3-dioxolan-2-yl)undec-5-en-1-ol (PubChem CID 72576197) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-en-1-ol.

Molecular Properties

Compound Name11-(2-methyl-1,3-dioxolan-2-yl)undec-5-en-1-ol
PubChem CID72576197
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name11-(2-methyl-1,3-dioxolan-2-yl)undec-5-en-1-ol
SMILESCC1(CCCCCC=CCCCCO)OCCO1
InChIInChI=1S/C15H28O3/c1-15(17-13-14-18-15)11-9-7-5-3-2-4-6-8-10-12-16/h2,4,16H,3,5-14H2,1H3
InChIKeyKJCMFTMZXUNTOU-UHFFFAOYSA-N
XLogP3.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Non-8-en-2-one ethylene ketal
CID 25186484
(E)-5-[(4S,5S)-5-[(E)-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 5467361
9-Octadecenyl-1-O-glycerol, isopropylidene derivative
CID 13374781
2-[2-(Cyclohept-1-en-1-yl)ethyl]-2-methyl-1,3-dioxolane
CID 13215923
(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol
CID 14164707
[2-[(E)-heptadec-8-enyl]-1,3-dioxolan-4-yl]methanol
CID 14542125
(2S)-7-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-ol
CID 25018184
trans-2-[(z)-8-Pentadecenyl]-4-hydroxymethyl-1,3-dioxolane
CID 129776173
cis-2-[(z)-8-Pentadecenyl]-4-hydroxymethyl-1,3-dioxolane
CID 129776221
(s)-1-((s)-2,2-Dimethyl-1,3-dioxolan-4-yl)hept-6-en-3-ol
CID 129840395
(r)-1-((r)-2,2-Dimethyl-1,3-dioxolan-4-yl)hept-6-en-2-ol
CID 129841057
(2R)-4-(2-prop-2-enyl-1,3-dioxolan-2-yl)butan-2-ol
CID 130989675

Frequently Asked Questions

What is the IUPAC name of 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-en-1-ol?
The IUPAC name of 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-en-1-ol (CID 72576197) is 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-en-1-ol.
What is the SMILES notation for 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-en-1-ol?
The canonical SMILES for 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-en-1-ol is CC1(CCCCCC=CCCCCO)OCCO1.
What is the InChIKey of 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-en-1-ol?
The InChIKey is KJCMFTMZXUNTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-15(17-13-14-18-15)11-9-7-5-3-2-4-6-8-10-12-16/h2,4,16H,3,5-14H2,1H3.
What are the key properties of 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-en-1-ol?
11-(2-methyl-1,3-dioxolan-2-yl)undec-5-en-1-ol has a molecular weight of 256.39 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methyl-1,3-dioxolan-2-yl)undec-5-en-1-ol is sourced from PubChem (CID 72576197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).