(7R)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene

C13H20O2 — CID 58661766

IUPAC(7R)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene
SMILESC1=C[C@]2(CCC1)CCCC1(C2)OCCO1
InChIInChI=1S/C13H20O2/c1-2-5-12(6-3-1)7-4-8-13(11-12)14-9-10-15-13/h2,5H,1,3-4,6-11H2/t12-/m0/s1
InChIKeyIUJOENIKEHNZMH-LBPRGKRZSA-N
MW208.30 g/mol
LogP3.03
Rot. Bonds

About (7R)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene

(7R)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene (PubChem CID 58661766) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (7R)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene.

Molecular Properties

Compound Name(7R)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene
PubChem CID58661766
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(7R)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene
SMILESC1=C[C@]2(CCC1)CCCC1(C2)OCCO1
InChIInChI=1S/C13H20O2/c1-2-5-12(6-3-1)7-4-8-13(11-12)14-9-10-15-13/h2,5H,1,3-4,6-11H2/t12-/m0/s1
InChIKeyIUJOENIKEHNZMH-LBPRGKRZSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane
CID 2278540
4a'-Methyl-3',4',4a',5',6',7'-hexahydro-1'h-spiro[1,3-dioxolane-2,2'-naphthalene]
CID 270622
1,4-Dioxa-dispiro[4.1.5.3]pentadec-8-ene
CID 66936799
(4aS)-4a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-4,2'-1,3-dioxolane]
CID 11435732
(4aR,8aS)-4a,7-dimethylspiro[1,2,3,5,8,8a-hexahydronaphthalene-4,2'-1,3-dioxolane]
CID 13260718
9-Ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane
CID 14172406
4-Methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene
CID 102387986
(E)-4-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)but-2-en-1-ol
CID 162407266
(1'S,3'aR,7'aR)-1',3'a-dimethylspiro[1,3-dioxolane-2,6'-4,5,7,7a-tetrahydro-1H-indene]
CID 175664972
6-(1-Cyclohexen-1-yl)-1,4-dioxaspiro[4.5]decane
CID 92658
2-Methyl-2-[2-(2,6,6-trimethylcyclohex-2-enyl)ethyl][1,3]dioxolane
CID 560211
8,8-Diallyl-1,4-dioxaspiro[4.5]decane
CID 567107

Frequently Asked Questions

What is the IUPAC name of (7R)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene?
The IUPAC name of (7R)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene (CID 58661766) is (7R)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene.
What is the SMILES notation for (7R)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene?
The canonical SMILES for (7R)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene is C1=C[C@]2(CCC1)CCCC1(C2)OCCO1.
What is the InChIKey of (7R)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene?
The InChIKey is IUJOENIKEHNZMH-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-5-12(6-3-1)7-4-8-13(11-12)14-9-10-15-13/h2,5H,1,3-4,6-11H2/t12-/m0/s1.
What are the key properties of (7R)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene?
(7R)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene has a molecular weight of 208.30 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1,4-dioxadispiro[4.1.57.35]pentadec-8-ene is sourced from PubChem (CID 58661766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).