3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol

C12H22O3 — CID 139513174

IUPAC3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol
SMILESC=CCC(CCO)OC(CC=C)CCO
InChIInChI=1S/C12H22O3/c1-3-5-11(7-9-13)15-12(6-4-2)8-10-14/h3-4,11-14H,1-2,5-10H2
InChIKeyVJOSJQIVVMRSIT-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.66
Rot. Bonds10

About 3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol

3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol (PubChem CID 139513174) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol.

Molecular Properties

Compound Name3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol
PubChem CID139513174
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol
SMILESC=CCC(CCO)OC(CC=C)CCO
InChIInChI=1S/C12H22O3/c1-3-5-11(7-9-13)15-12(6-4-2)8-10-14/h3-4,11-14H,1-2,5-10H2
InChIKeyVJOSJQIVVMRSIT-UHFFFAOYSA-N
XLogP1.66
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1-hydroxyhex-5-en-3-yloxy)hex-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

4-hepta-1,6-dien-4-yloxyhepta-1,6-diene
CID 23055063
3-butoxyhex-5-en-1-ol
CID 90780016
3-prop-2-enoxypentane-1,5-diol
CID 22352605
7-chloro-4-(7-chlorohept-1-en-4-yloxy)hept-1-ene
CID 87687085
4-dodeca-1,11-dien-4-yloxydodeca-1,11-diene
CID 88718946
hex-5-ene-1,3-diol
CID 15626312
7-hydroxyhept-1-en-4-yl carbamate
CID 175099859
2-methoxypent-4-en-1-ol
CID 90985403
[(2S)-1-hydroxypent-4-en-2-yl] carbamate
CID 175099114
trimethyl-[(1R)-1-[(4S)-non-1-en-4-yl]oxyhexyl]silane
CID 10827976
4,5-dimethoxypent-1-ene
CID 73040162
4-methoxynon-1-ene
CID 13284925

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol?
The IUPAC name of 3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol (CID 139513174) is 3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol.
What is the SMILES notation for 3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol?
The canonical SMILES for 3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol is C=CCC(CCO)OC(CC=C)CCO.
What is the InChIKey of 3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol?
The InChIKey is VJOSJQIVVMRSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-5-11(7-9-13)15-12(6-4-2)8-10-14/h3-4,11-14H,1-2,5-10H2.
What are the key properties of 3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol?
3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol has a molecular weight of 214.30 g/mol, XLogP of 1.66, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol is sourced from PubChem (CID 139513174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).