(1S,2S)-2-[7-(oxan-2-yloxy)hept-1-en-3-yl]cyclopent-3-en-1-ol

C17H28O3 — CID 18640811

IUPAC(1S,2S)-2-[7-(oxan-2-yloxy)hept-1-en-3-yl]cyclopent-3-en-1-ol
SMILESC=CC(CCCCOC1CCCCO1)[C@@H]1C=CC[C@@H]1O
InChIInChI=1S/C17H28O3/c1-2-14(15-9-7-10-16(15)18)8-3-5-12-19-17-11-4-6-13-20-17/h2,7,9,14-18H,1,3-6,8,10-13H2/t14?,15-,16-,17?/m0/s1
InChIKeyBXGPLTOXCYAIMK-YZUHTNEWSA-N
MW280.41 g/mol
LogP3.44
Rot. Bonds8

About (1S,2S)-2-[7-(oxan-2-yloxy)hept-1-en-3-yl]cyclopent-3-en-1-ol

(1S,2S)-2-[7-(oxan-2-yloxy)hept-1-en-3-yl]cyclopent-3-en-1-ol (PubChem CID 18640811) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is (1S,2S)-2-[7-(oxan-2-yloxy)hept-1-en-3-yl]cyclopent-3-en-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-[7-(oxan-2-yloxy)hept-1-en-3-yl]cyclopent-3-en-1-ol
PubChem CID18640811
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name(1S,2S)-2-[7-(oxan-2-yloxy)hept-1-en-3-yl]cyclopent-3-en-1-ol
SMILESC=CC(CCCCOC1CCCCO1)[C@@H]1C=CC[C@@H]1O
InChIInChI=1S/C17H28O3/c1-2-14(15-9-7-10-16(15)18)8-3-5-12-19-17-11-4-6-13-20-17/h2,7,9,14-18H,1,3-6,8,10-13H2/t14?,15-,16-,17?/m0/s1
InChIKeyBXGPLTOXCYAIMK-YZUHTNEWSA-N
XLogP3.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromohex-5-enoxy)oxane
CID 139711941
5-(oxan-2-yloxy)pent-1-en-3-ol
CID 15194608
(2S)-2-pent-4-enoxyoxane
CID 58779863
2-(6-methylheptoxy)oxane
CID 139685112
2-[4-(oxan-2-yloxy)butyl]propanediamide
CID 67822555
(3S)-8-(oxan-2-yloxy)octane-1,3-diol
CID 11831727
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
(3R)-3-methyl-12-(oxan-2-yloxy)dodecanal
CID 10469994
2-amino-6-(oxan-2-yloxy)hexanoic acid
CID 146471509
2-(10-prop-2-enoxytridecoxy)oxane
CID 11035223
1,3-bis[4-(oxan-2-yloxy)butoxy]propan-2-ol
CID 171403121
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-[7-(oxan-2-yloxy)hept-1-en-3-yl]cyclopent-3-en-1-ol?
The IUPAC name of (1S,2S)-2-[7-(oxan-2-yloxy)hept-1-en-3-yl]cyclopent-3-en-1-ol (CID 18640811) is (1S,2S)-2-[7-(oxan-2-yloxy)hept-1-en-3-yl]cyclopent-3-en-1-ol.
What is the SMILES notation for (1S,2S)-2-[7-(oxan-2-yloxy)hept-1-en-3-yl]cyclopent-3-en-1-ol?
The canonical SMILES for (1S,2S)-2-[7-(oxan-2-yloxy)hept-1-en-3-yl]cyclopent-3-en-1-ol is C=CC(CCCCOC1CCCCO1)[C@@H]1C=CC[C@@H]1O.
What is the InChIKey of (1S,2S)-2-[7-(oxan-2-yloxy)hept-1-en-3-yl]cyclopent-3-en-1-ol?
The InChIKey is BXGPLTOXCYAIMK-YZUHTNEWSA-N. The full InChI is InChI=1S/C17H28O3/c1-2-14(15-9-7-10-16(15)18)8-3-5-12-19-17-11-4-6-13-20-17/h2,7,9,14-18H,1,3-6,8,10-13H2/t14?,15-,16-,17?/m0/s1.
What are the key properties of (1S,2S)-2-[7-(oxan-2-yloxy)hept-1-en-3-yl]cyclopent-3-en-1-ol?
(1S,2S)-2-[7-(oxan-2-yloxy)hept-1-en-3-yl]cyclopent-3-en-1-ol has a molecular weight of 280.41 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-[7-(oxan-2-yloxy)hept-1-en-3-yl]cyclopent-3-en-1-ol is sourced from PubChem (CID 18640811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).