(4S,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol

C11H16O3 — CID 10867242

IUPAC(4S,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol
SMILESO[C@H]1C=CC[C@@]12CCCC21OCCO1
InChIInChI=1S/C11H16O3/c12-9-3-1-4-10(9)5-2-6-11(10)13-7-8-14-11/h1,3,9,12H,2,4-8H2/t9-,10+/m0/s1
InChIKeyNJBNUYWXPDFDCP-VHSXEESVSA-N
MW196.25 g/mol
LogP1.22
Rot. Bonds

About (4S,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol

(4S,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol (PubChem CID 10867242) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (4S,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol.

Molecular Properties

Compound Name(4S,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol
PubChem CID10867242
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(4S,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol
SMILESO[C@H]1C=CC[C@@]12CCCC21OCCO1
InChIInChI=1S/C11H16O3/c12-9-3-1-4-10(9)5-2-6-11(10)13-7-8-14-11/h1,3,9,12H,2,4-8H2/t9-,10+/m0/s1
InChIKeyNJBNUYWXPDFDCP-VHSXEESVSA-N
XLogP1.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.22
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

(9-Prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl)methanol
CID 10899601
(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
(1S)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]pent-4-en-1-ol
CID 11791680
9-Methyl-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-ol
CID 14360943
(1S)-1-[(9R)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol
CID 101140059
(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
(6S,7S)-1,4-dioxadispiro[4.0.56.35]tetradec-9-en-7-ol
CID 10899874
(4R,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol
CID 10910449
(1R)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]but-3-en-1-ol
CID 10911597
(1S)-1-[(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-9-yl]prop-2-en-1-ol
CID 10933107

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol?
The IUPAC name of (4S,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol (CID 10867242) is (4S,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol.
What is the SMILES notation for (4S,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol?
The canonical SMILES for (4S,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol is O[C@H]1C=CC[C@@]12CCCC21OCCO1.
What is the InChIKey of (4S,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol?
The InChIKey is NJBNUYWXPDFDCP-VHSXEESVSA-N. The full InChI is InChI=1S/C11H16O3/c12-9-3-1-4-10(9)5-2-6-11(10)13-7-8-14-11/h1,3,9,12H,2,4-8H2/t9-,10+/m0/s1.
What are the key properties of (4S,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol?
(4S,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol has a molecular weight of 196.25 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-7,10-dioxadispiro[4.0.46.35]tridec-2-en-4-ol is sourced from PubChem (CID 10867242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).