3-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]propan-1-ol

C17H28O3 — CID 134243781

IUPAC3-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]propan-1-ol
SMILESC=C1C[C@H](CCCO)O[C@H]1CC[C@H]1CCC(=C)[C@@H](C)O1
InChIInChI=1S/C17H28O3/c1-12-6-7-15(19-14(12)3)8-9-17-13(2)11-16(20-17)5-4-10-18/h14-18H,1-2,4-11H2,3H3/t14-,15-,16+,17+/m1/s1
InChIKeyRXGQZAOVDPBENO-NCOADZHNSA-N
MW280.41 g/mol
LogP3.38
Rot. Bonds6

About 3-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]propan-1-ol

3-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]propan-1-ol (PubChem CID 134243781) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]propan-1-ol
PubChem CID134243781
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name3-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]propan-1-ol
SMILESC=C1C[C@H](CCCO)O[C@H]1CC[C@H]1CCC(=C)[C@@H](C)O1
InChIInChI=1S/C17H28O3/c1-12-6-7-15(19-14(12)3)8-9-17-13(2)11-16(20-17)5-4-10-18/h14-18H,1-2,4-11H2,3H3/t14-,15-,16+,17+/m1/s1
InChIKeyRXGQZAOVDPBENO-NCOADZHNSA-N
XLogP3.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]propan-1-ol?
The IUPAC name of 3-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]propan-1-ol (CID 134243781) is 3-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]propan-1-ol is C=C1C[C@H](CCCO)O[C@H]1CC[C@H]1CCC(=C)[C@@H](C)O1.
What is the InChIKey of 3-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]propan-1-ol?
The InChIKey is RXGQZAOVDPBENO-NCOADZHNSA-N. The full InChI is InChI=1S/C17H28O3/c1-12-6-7-15(19-14(12)3)8-9-17-13(2)11-16(20-17)5-4-10-18/h14-18H,1-2,4-11H2,3H3/t14-,15-,16+,17+/m1/s1.
What are the key properties of 3-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]propan-1-ol?
3-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]propan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]propan-1-ol is sourced from PubChem (CID 134243781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).