(3S,6Z)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-ol

C15H24O2 — CID 163195573

IUPAC(3S,6Z)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-ol
SMILESC=C[C@@](C)(O)CC/C=C1\CO[C@@H](C=C(C)C)C1
InChIInChI=1S/C15H24O2/c1-5-15(4,16)8-6-7-13-10-14(17-11-13)9-12(2)3/h5,7,9,14,16H,1,6,8,10-11H2,2-4H3/b13-7-/t14-,15+/m0/s1
InChIKeyYKZPUSGDQAOOKT-VBUBNCOFSA-N
MW236.35 g/mol
LogP3.39
Rot. Bonds5

About (3S,6Z)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-ol

(3S,6Z)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-ol (PubChem CID 163195573) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (3S,6Z)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-ol.

Molecular Properties

Compound Name(3S,6Z)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-ol
PubChem CID163195573
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(3S,6Z)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-ol
SMILESC=C[C@@](C)(O)CC/C=C1\CO[C@@H](C=C(C)C)C1
InChIInChI=1S/C15H24O2/c1-5-15(4,16)8-6-7-13-10-14(17-11-13)9-12(2)3/h5,7,9,14,16H,1,6,8,10-11H2,2-4H3/b13-7-/t14-,15+/m0/s1
InChIKeyYKZPUSGDQAOOKT-VBUBNCOFSA-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

3-methyl-5-[(3R,6S)-4-methylidene-6-(2-methylprop-1-enyl)dioxan-3-yl]pent-1-en-3-ol
CID 102125250
(3Z,5R)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-[(4S)-4-hydroxy-4-methylhex-5-enylidene]oxolan-2-one
CID 162878046
(3E)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-(4-hydroxy-4-methylhex-5-enylidene)oxolan-2-one
CID 14633116
3,6-dimethylocta-1,7-diene-3,6-diol
CID 57150044
5-methyl-4-[2-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]ethoxy]chromen-2-one
CID 163015441
(3S,6E)-3,7-dimethylnona-1,6-dien-3-ol
CID 38988672
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
3,7-dimethylocta-1,6-dien-3-ol;hexane
CID 135305503
(2R,3R,4S,5S,6R)-2-[(2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 125416399
2-(3-hydroxy-3-methylpent-4-enyl)-3-methyl-2H-furan-5-one
CID 101413883
1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol
CID 160961058
(3R,6E)-3,7,9,9-tetramethylundeca-1,6,10-trien-3-ol
CID 134861402

Frequently Asked Questions

What is the IUPAC name of (3S,6Z)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-ol?
The IUPAC name of (3S,6Z)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-ol (CID 163195573) is (3S,6Z)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-ol.
What is the SMILES notation for (3S,6Z)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-ol?
The canonical SMILES for (3S,6Z)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-ol is C=C[C@@](C)(O)CC/C=C1\CO[C@@H](C=C(C)C)C1.
What is the InChIKey of (3S,6Z)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-ol?
The InChIKey is YKZPUSGDQAOOKT-VBUBNCOFSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-15(4,16)8-6-7-13-10-14(17-11-13)9-12(2)3/h5,7,9,14,16H,1,6,8,10-11H2,2-4H3/b13-7-/t14-,15+/m0/s1.
What are the key properties of (3S,6Z)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-ol?
(3S,6Z)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-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 (3S,6Z)-3-methyl-6-[(5R)-5-(2-methylprop-1-enyl)oxolan-3-ylidene]hex-1-en-3-ol is sourced from PubChem (CID 163195573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).