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

C15H24O2 — CID 91747437

IUPAC(5E)-3-methyl-6-[(2S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]hexa-1,5-dien-3-ol
SMILESC=CC(C)(O)C/C=C/[C@]1(C)CCC(C(=C)C)O1
InChIInChI=1S/C15H24O2/c1-6-14(4,16)9-7-10-15(5)11-8-13(17-15)12(2)3/h6-7,10,13,16H,1-2,8-9,11H2,3-5H3/b10-7+/t13?,14?,15-/m1/s1
InChIKeyFYNUDQSLPSFSMZ-VDRQVVDYSA-N
MW236.35 g/mol
LogP3.38
Rot. Bonds5

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

(5E)-3-methyl-6-[(2S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]hexa-1,5-dien-3-ol (PubChem CID 91747437) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (5E)-3-methyl-6-[(2S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]hexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(5E)-3-methyl-6-[(2S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]hexa-1,5-dien-3-ol
PubChem CID91747437
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(5E)-3-methyl-6-[(2S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]hexa-1,5-dien-3-ol
SMILESC=CC(C)(O)C/C=C/[C@]1(C)CCC(C(=C)C)O1
InChIInChI=1S/C15H24O2/c1-6-14(4,16)9-7-10-15(5)11-8-13(17-15)12(2)3/h6-7,10,13,16H,1-2,8-9,11H2,3-5H3/b10-7+/t13?,14?,15-/m1/s1
InChIKeyFYNUDQSLPSFSMZ-VDRQVVDYSA-N
XLogP3.38
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 ≤ 53.38
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

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CID 92002
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CID 6436627
Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, (E)-
CID 5363526
(1R,2E,6S,8S,11E,14S)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-14-ol
CID 11844490
Neroplomacrol
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(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
Negunfurol
CID 163184208
(3S)-6-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol
CID 141214946
(3S)-6-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhexa-1,5-dien-3-ol
CID 162881173
(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

Frequently Asked Questions

What is the IUPAC name of (5E)-3-methyl-6-[(2S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]hexa-1,5-dien-3-ol?
The IUPAC name of (5E)-3-methyl-6-[(2S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]hexa-1,5-dien-3-ol (CID 91747437) is (5E)-3-methyl-6-[(2S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]hexa-1,5-dien-3-ol.
What is the SMILES notation for (5E)-3-methyl-6-[(2S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]hexa-1,5-dien-3-ol?
The canonical SMILES for (5E)-3-methyl-6-[(2S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]hexa-1,5-dien-3-ol is C=CC(C)(O)C/C=C/[C@]1(C)CCC(C(=C)C)O1.
What is the InChIKey of (5E)-3-methyl-6-[(2S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]hexa-1,5-dien-3-ol?
The InChIKey is FYNUDQSLPSFSMZ-VDRQVVDYSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-14(4,16)9-7-10-15(5)11-8-13(17-15)12(2)3/h6-7,10,13,16H,1-2,8-9,11H2,3-5H3/b10-7+/t13?,14?,15-/m1/s1.
What are the key properties of (5E)-3-methyl-6-[(2S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]hexa-1,5-dien-3-ol?
(5E)-3-methyl-6-[(2S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]hexa-1,5-dien-3-ol has a molecular weight of 236.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-6-[(2S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]hexa-1,5-dien-3-ol is sourced from PubChem (CID 91747437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).