(6R,8R)-6-methoxy-1-(2-prop-2-enyl-1,3-dioxolan-2-yl)undecane-2,8-diol

C18H34O5 — CID 134844306

IUPAC(6R,8R)-6-methoxy-1-(2-prop-2-enyl-1,3-dioxolan-2-yl)undecane-2,8-diol
SMILESC=CCC1(CC(O)CCC[C@H](C[C@H](O)CCC)OC)OCCO1
InChIInChI=1S/C18H34O5/c1-4-7-15(19)13-17(21-3)9-6-8-16(20)14-18(10-5-2)22-11-12-23-18/h5,15-17,19-20H,2,4,6-14H2,1,3H3/t15-,16?,17-/m1/s1
InChIKeySVOOCUZOUIDOOU-PWZMFNOBSA-N
MW330.47 g/mol
LogP2.79
Rot. Bonds13

About (6R,8R)-6-methoxy-1-(2-prop-2-enyl-1,3-dioxolan-2-yl)undecane-2,8-diol

(6R,8R)-6-methoxy-1-(2-prop-2-enyl-1,3-dioxolan-2-yl)undecane-2,8-diol (PubChem CID 134844306) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is (6R,8R)-6-methoxy-1-(2-prop-2-enyl-1,3-dioxolan-2-yl)undecane-2,8-diol.

Molecular Properties

Compound Name(6R,8R)-6-methoxy-1-(2-prop-2-enyl-1,3-dioxolan-2-yl)undecane-2,8-diol
PubChem CID134844306
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Name(6R,8R)-6-methoxy-1-(2-prop-2-enyl-1,3-dioxolan-2-yl)undecane-2,8-diol
SMILESC=CCC1(CC(O)CCC[C@H](C[C@H](O)CCC)OC)OCCO1
InChIInChI=1S/C18H34O5/c1-4-7-15(19)13-17(21-3)9-6-8-16(20)14-18(10-5-2)22-11-12-23-18/h5,15-17,19-20H,2,4,6-14H2,1,3H3/t15-,16?,17-/m1/s1
InChIKeySVOOCUZOUIDOOU-PWZMFNOBSA-N
XLogP2.79
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6R,8R)-6-methoxy-1-(2-prop-2-enyl-1,3-dioxolan-2-yl)undecane-2,8-diol 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

(2s,3s,5s)-5-[(1s)-1-Hydroxydec-9-en-1-yl]-2-pentyltetrahydrofuran-3-ol
CID 11077855
(6s,7s,9r,10r)-6,9-Epoxynonadec-18-ene-7,10-diol
CID 11120550
(2R,3R,4R,5R)-2-((R)-1,2-dihydroxyethyl)-5-(undec-10-enyloxy)-tetrahydrofuran-3,4-diol
CID 44442295
(2R,3R,4R,5S)-2-((R)-1,2-dihydroxyethyl)-5-(undec-10-enyloxy)-tetrahydrofuran-3,4-diol
CID 44442296
(3R,4R,5S)-5-((R)-2-hydroxy-1-(undec-10-enyloxy)ethyl)-tetrahydrofuran-2,3,4-triol
CID 44442298
5-(1-Hydroxy-9-decenyl)-2-pentyltetrahydro-3-furanol
CID 494498
(2S,3R,4S,5S,6R)-2-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2-prop-2-enyloxane-3,4,5-triol
CID 129637651
Allyl-beta-galactofuranose
CID 140714337
3-[(4R,5R)-5-[(Z)-6-[(4R,5R)-5-(3-hydroxypropyl)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
CID 11101436
(4S,5S)-4-but-3-enyl-5-[2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-2,2-dimethyl-1,3-dioxolane
CID 11988731
(2S,3S,4S,5S)-2-(dimethoxymethyl)-5-prop-2-enyloxolane-3,4-diol
CID 24905943
(3S,4R)-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-ene-3,4-diol
CID 44221473

Frequently Asked Questions

What is the IUPAC name of (6R,8R)-6-methoxy-1-(2-prop-2-enyl-1,3-dioxolan-2-yl)undecane-2,8-diol?
The IUPAC name of (6R,8R)-6-methoxy-1-(2-prop-2-enyl-1,3-dioxolan-2-yl)undecane-2,8-diol (CID 134844306) is (6R,8R)-6-methoxy-1-(2-prop-2-enyl-1,3-dioxolan-2-yl)undecane-2,8-diol.
What is the SMILES notation for (6R,8R)-6-methoxy-1-(2-prop-2-enyl-1,3-dioxolan-2-yl)undecane-2,8-diol?
The canonical SMILES for (6R,8R)-6-methoxy-1-(2-prop-2-enyl-1,3-dioxolan-2-yl)undecane-2,8-diol is C=CCC1(CC(O)CCC[C@H](C[C@H](O)CCC)OC)OCCO1.
What is the InChIKey of (6R,8R)-6-methoxy-1-(2-prop-2-enyl-1,3-dioxolan-2-yl)undecane-2,8-diol?
The InChIKey is SVOOCUZOUIDOOU-PWZMFNOBSA-N. The full InChI is InChI=1S/C18H34O5/c1-4-7-15(19)13-17(21-3)9-6-8-16(20)14-18(10-5-2)22-11-12-23-18/h5,15-17,19-20H,2,4,6-14H2,1,3H3/t15-,16?,17-/m1/s1.
What are the key properties of (6R,8R)-6-methoxy-1-(2-prop-2-enyl-1,3-dioxolan-2-yl)undecane-2,8-diol?
(6R,8R)-6-methoxy-1-(2-prop-2-enyl-1,3-dioxolan-2-yl)undecane-2,8-diol has a molecular weight of 330.47 g/mol, XLogP of 2.79, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8R)-6-methoxy-1-(2-prop-2-enyl-1,3-dioxolan-2-yl)undecane-2,8-diol is sourced from PubChem (CID 134844306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).