(2R,5E)-2-[(2S,5R)-5-methoxy-5-methyloxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol

C19H34O3 — CID 14039504

IUPAC(2R,5E)-2-[(2S,5R)-5-methoxy-5-methyloxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol
SMILESCO[C@@]1(C)CC[C@@H]([C@](C)(O)CC/C=C(\C)CCC=C(C)C)O1
InChIInChI=1S/C19H34O3/c1-15(2)9-7-10-16(3)11-8-13-18(4,20)17-12-14-19(5,21-6)22-17/h9,11,17,20H,7-8,10,12-14H2,1-6H3/b16-11+/t17-,18+,19+/m0/s1
InChIKeyWVIPNFACEKDMDZ-UEUBPVBGSA-N
MW310.48 g/mol
LogP4.75
Rot. Bonds8

About (2R,5E)-2-[(2S,5R)-5-methoxy-5-methyloxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol

(2R,5E)-2-[(2S,5R)-5-methoxy-5-methyloxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol (PubChem CID 14039504) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is (2R,5E)-2-[(2S,5R)-5-methoxy-5-methyloxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol.

Molecular Properties

Compound Name(2R,5E)-2-[(2S,5R)-5-methoxy-5-methyloxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol
PubChem CID14039504
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Name(2R,5E)-2-[(2S,5R)-5-methoxy-5-methyloxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol
SMILESCO[C@@]1(C)CC[C@@H]([C@](C)(O)CC/C=C(\C)CCC=C(C)C)O1
InChIInChI=1S/C19H34O3/c1-15(2)9-7-10-16(3)11-8-13-18(4,20)17-12-14-19(5,21-6)22-17/h9,11,17,20H,7-8,10,12-14H2,1-6H3/b16-11+/t17-,18+,19+/m0/s1
InChIKeyWVIPNFACEKDMDZ-UEUBPVBGSA-N
XLogP4.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5E)-2-[(2S,5R)-5-methoxy-5-methyloxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol?
The IUPAC name of (2R,5E)-2-[(2S,5R)-5-methoxy-5-methyloxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol (CID 14039504) is (2R,5E)-2-[(2S,5R)-5-methoxy-5-methyloxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol.
What is the SMILES notation for (2R,5E)-2-[(2S,5R)-5-methoxy-5-methyloxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol?
The canonical SMILES for (2R,5E)-2-[(2S,5R)-5-methoxy-5-methyloxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol is CO[C@@]1(C)CC[C@@H]([C@](C)(O)CC/C=C(\C)CCC=C(C)C)O1.
What is the InChIKey of (2R,5E)-2-[(2S,5R)-5-methoxy-5-methyloxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol?
The InChIKey is WVIPNFACEKDMDZ-UEUBPVBGSA-N. The full InChI is InChI=1S/C19H34O3/c1-15(2)9-7-10-16(3)11-8-13-18(4,20)17-12-14-19(5,21-6)22-17/h9,11,17,20H,7-8,10,12-14H2,1-6H3/b16-11+/t17-,18+,19+/m0/s1.
What are the key properties of (2R,5E)-2-[(2S,5R)-5-methoxy-5-methyloxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol?
(2R,5E)-2-[(2S,5R)-5-methoxy-5-methyloxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol has a molecular weight of 310.48 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5E)-2-[(2S,5R)-5-methoxy-5-methyloxolan-2-yl]-6,10-dimethylundeca-5,9-dien-2-ol is sourced from PubChem (CID 14039504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).