2-[(2R)-5-[(1R,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol

C20H32O2 — CID 163083581

IUPAC2-[(2R)-5-[(1R,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol
SMILESC=C[C@@]1(C)CC[C@@H](C2=CC[C@H](C(C)(C)O)OC2)C[C@@H]1C(=C)C
InChIInChI=1S/C20H32O2/c1-7-20(6)11-10-15(12-17(20)14(2)3)16-8-9-18(22-13-16)19(4,5)21/h7-8,15,17-18,21H,1-2,9-13H2,3-6H3/t15-,17-,18-,20+/m1/s1
InChIKeyDAVHDEXYPFPIDG-UIXUWTQFSA-N
MW304.47 g/mol
LogP4.66
Rot. Bonds4

About 2-[(2R)-5-[(1R,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol

2-[(2R)-5-[(1R,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol (PubChem CID 163083581) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 2-[(2R)-5-[(1R,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2R)-5-[(1R,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol
PubChem CID163083581
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name2-[(2R)-5-[(1R,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol
SMILESC=C[C@@]1(C)CC[C@@H](C2=CC[C@H](C(C)(C)O)OC2)C[C@@H]1C(=C)C
InChIInChI=1S/C20H32O2/c1-7-20(6)11-10-15(12-17(20)14(2)3)16-8-9-18(22-13-16)19(4,5)21/h7-8,15,17-18,21H,1-2,9-13H2,3-6H3/t15-,17-,18-,20+/m1/s1
InChIKeyDAVHDEXYPFPIDG-UIXUWTQFSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.66
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 2-[(2R)-5-[(1R,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol?
The IUPAC name of 2-[(2R)-5-[(1R,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol (CID 163083581) is 2-[(2R)-5-[(1R,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2R)-5-[(1R,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2R)-5-[(1R,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol is C=C[C@@]1(C)CC[C@@H](C2=CC[C@H](C(C)(C)O)OC2)C[C@@H]1C(=C)C.
What is the InChIKey of 2-[(2R)-5-[(1R,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol?
The InChIKey is DAVHDEXYPFPIDG-UIXUWTQFSA-N. The full InChI is InChI=1S/C20H32O2/c1-7-20(6)11-10-15(12-17(20)14(2)3)16-8-9-18(22-13-16)19(4,5)21/h7-8,15,17-18,21H,1-2,9-13H2,3-6H3/t15-,17-,18-,20+/m1/s1.
What are the key properties of 2-[(2R)-5-[(1R,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol?
2-[(2R)-5-[(1R,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol has a molecular weight of 304.47 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-5-[(1R,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-3,6-dihydro-2H-pyran-2-yl]propan-2-ol is sourced from PubChem (CID 163083581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).