(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]pentan-1-ol

C15H24O2 — CID 89084950

IUPAC(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]pentan-1-ol
SMILESC=CC[C@@H]1C=CC[C@@H](C[C@@H](C)CC(=C)CO)O1
InChIInChI=1S/C15H24O2/c1-4-6-14-7-5-8-15(17-14)10-12(2)9-13(3)11-16/h4-5,7,12,14-16H,1,3,6,8-11H2,2H3/t12-,14+,15-/m0/s1
InChIKeyADGKGJXCPVJMKR-CFVMTHIKSA-N
MW236.35 g/mol
LogP3.24
Rot. Bonds7

About (4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]pentan-1-ol

(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]pentan-1-ol (PubChem CID 89084950) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]pentan-1-ol.

Molecular Properties

Compound Name(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]pentan-1-ol
PubChem CID89084950
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]pentan-1-ol
SMILESC=CC[C@@H]1C=CC[C@@H](C[C@@H](C)CC(=C)CO)O1
InChIInChI=1S/C15H24O2/c1-4-6-14-7-5-8-15(17-14)10-12(2)9-13(3)11-16/h4-5,7,12,14-16H,1,3,6,8-11H2,2H3/t12-,14+,15-/m0/s1
InChIKeyADGKGJXCPVJMKR-CFVMTHIKSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]pentan-1-ol?
The IUPAC name of (4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]pentan-1-ol (CID 89084950) is (4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]pentan-1-ol.
What is the SMILES notation for (4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]pentan-1-ol?
The canonical SMILES for (4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]pentan-1-ol is C=CC[C@@H]1C=CC[C@@H](C[C@@H](C)CC(=C)CO)O1.
What is the InChIKey of (4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]pentan-1-ol?
The InChIKey is ADGKGJXCPVJMKR-CFVMTHIKSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-6-14-7-5-8-15(17-14)10-12(2)9-13(3)11-16/h4-5,7,12,14-16H,1,3,6,8-11H2,2H3/t12-,14+,15-/m0/s1.
What are the key properties of (4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]pentan-1-ol?
(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]pentan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]pentan-1-ol is sourced from PubChem (CID 89084950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).