(6S,7R)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol

C15H24O3 — CID 10868788

IUPAC(6S,7R)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol
SMILESO[C@@H]1CCC=CC[C@@]12CCCCCC21OCCO1
InChIInChI=1S/C15H24O3/c16-13-7-3-1-4-8-14(13)9-5-2-6-10-15(14)17-11-12-18-15/h1,4,13,16H,2-3,5-12H2/t13-,14-/m1/s1
InChIKeyYQEFOPYPCUWRKP-ZIAGYGMSSA-N
MW252.35 g/mol
LogP2.78
Rot. Bonds

About (6S,7R)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol

(6S,7R)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol (PubChem CID 10868788) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (6S,7R)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol.

Molecular Properties

Compound Name(6S,7R)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol
PubChem CID10868788
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(6S,7R)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol
SMILESO[C@@H]1CCC=CC[C@@]12CCCCCC21OCCO1
InChIInChI=1S/C15H24O3/c16-13-7-3-1-4-8-14(13)9-5-2-6-10-15(14)17-11-12-18-15/h1,4,13,16H,2-3,5-12H2/t13-,14-/m1/s1
InChIKeyYQEFOPYPCUWRKP-ZIAGYGMSSA-N
XLogP2.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethenyl-2,6-dimethylhept-5-en-1-ol
CID 102312821
(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-ethenyl-2,6-dimethylhept-5-en-1-ol
CID 154708415
(6-Prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl)methanol
CID 10933192
(1R)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]pent-4-en-1-ol
CID 10999996
(4S,5S)-7,10-dioxadispiro[4.0.46.45]tetradec-2-en-4-ol
CID 11042022
(4S,5S)-7,10-dioxadispiro[4.0.46.55]pentadec-2-en-4-ol
CID 11064077
(6S,7S)-1,4-dioxadispiro[4.0.56.55]hexadec-9-en-7-ol
CID 11806696
(1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]but-3-en-1-ol
CID 21596271
(1S)-1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.6]undecan-6-yl]prop-2-en-1-ol
CID 21596272
(6S,7S)-1,4-dioxadispiro[4.0.56.45]pentadec-9-en-7-ol
CID 21596273
(6R,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol
CID 101140066
(6R,7R)-1,4-dioxadispiro[4.0.66.35]pentadec-10-en-7-ol
CID 101140067

Frequently Asked Questions

What is the IUPAC name of (6S,7R)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol?
The IUPAC name of (6S,7R)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol (CID 10868788) is (6S,7R)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol.
What is the SMILES notation for (6S,7R)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol?
The canonical SMILES for (6S,7R)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol is O[C@@H]1CCC=CC[C@@]12CCCCCC21OCCO1.
What is the InChIKey of (6S,7R)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol?
The InChIKey is YQEFOPYPCUWRKP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H24O3/c16-13-7-3-1-4-8-14(13)9-5-2-6-10-15(14)17-11-12-18-15/h1,4,13,16H,2-3,5-12H2/t13-,14-/m1/s1.
What are the key properties of (6S,7R)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol?
(6S,7R)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol has a molecular weight of 252.35 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R)-1,4-dioxadispiro[4.0.66.55]heptadec-10-en-7-ol is sourced from PubChem (CID 10868788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).