(2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)hexa-2,5-dien-1-ol

C15H24O2 — CID 6429051

IUPAC(2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)hexa-2,5-dien-1-ol
SMILESC=C(C)C1CCC(C)(/C=C/C/C(C)=C/CO)O1
InChIInChI=1S/C15H24O2/c1-12(2)14-7-10-15(4,17-14)9-5-6-13(3)8-11-16/h5,8-9,14,16H,1,6-7,10-11H2,2-4H3/b9-5+,13-8+
InChIKeyRHOFVSRBKFWSOJ-OKCSQZJQSA-N
MW236.35 g/mol
LogP3.39
Rot. Bonds5

About (2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)hexa-2,5-dien-1-ol

(2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)hexa-2,5-dien-1-ol (PubChem CID 6429051) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)hexa-2,5-dien-1-ol.

Molecular Properties

Compound Name(2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)hexa-2,5-dien-1-ol
PubChem CID6429051
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)hexa-2,5-dien-1-ol
SMILESC=C(C)C1CCC(C)(/C=C/C/C(C)=C/CO)O1
InChIInChI=1S/C15H24O2/c1-12(2)14-7-10-15(4,17-14)9-5-6-13(3)8-11-16/h5,8-9,14,16H,1,6-7,10-11H2,2-4H3/b9-5+,13-8+
InChIKeyRHOFVSRBKFWSOJ-OKCSQZJQSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.39
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

2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuran
CID 92002
Tetrahydro-2,2-dimethyl-5-((1Z)-1-methyl-1-propen-1-yl)furan
CID 6436627
Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, (E)-
CID 5363526
(E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol
CID 131751871
(2S,5R)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane
CID 162888684
(2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dien-1-ol
CID 10879194
(3R,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol
CID 10702711
(3S,5R)-5-[(E)-4-hydroxybut-2-en-2-yl]-2,2-dimethyloxolan-3-ol
CID 10773904
(2S,5S)-2-ethenyl-2-methyl-5-[(2E)-6-methylhepta-2,5-dien-2-yl]oxolane
CID 162888683
(E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol
CID 162905306
(1R,2E,5S,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol
CID 163023415
(1R,2E,5R,6E,8S,10E,12S)-1,5,11-trimethyl-8-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol
CID 163023417

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)hexa-2,5-dien-1-ol?
The IUPAC name of (2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)hexa-2,5-dien-1-ol (CID 6429051) is (2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)hexa-2,5-dien-1-ol.
What is the SMILES notation for (2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)hexa-2,5-dien-1-ol?
The canonical SMILES for (2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)hexa-2,5-dien-1-ol is C=C(C)C1CCC(C)(/C=C/C/C(C)=C/CO)O1.
What is the InChIKey of (2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)hexa-2,5-dien-1-ol?
The InChIKey is RHOFVSRBKFWSOJ-OKCSQZJQSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)14-7-10-15(4,17-14)9-5-6-13(3)8-11-16/h5,8-9,14,16H,1,6-7,10-11H2,2-4H3/b9-5+,13-8+.
What are the key properties of (2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)hexa-2,5-dien-1-ol?
(2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)hexa-2,5-dien-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-3-methyl-6-(2-methyl-5-prop-1-en-2-yloxolan-2-yl)hexa-2,5-dien-1-ol is sourced from PubChem (CID 6429051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).