4-methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene

C13H20O2 — CID 102387986

IUPAC4-methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene
SMILESCC1=CCCC12CCC1(CC2)OCCO1
InChIInChI=1S/C13H20O2/c1-11-3-2-4-12(11)5-7-13(8-6-12)14-9-10-15-13/h3H,2,4-10H2,1H3
InChIKeyKGWZAFJUJCNFNY-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.03
Rot. Bonds

About 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene

4-methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene (PubChem CID 102387986) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene.

Molecular Properties

Compound Name4-methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene
PubChem CID102387986
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene
SMILESCC1=CCCC12CCC1(CC2)OCCO1
InChIInChI=1S/C13H20O2/c1-11-3-2-4-12(11)5-7-13(8-6-12)14-9-10-15-13/h3H,2,4-10H2,1H3
InChIKeyKGWZAFJUJCNFNY-UHFFFAOYSA-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

1,3-Dioxolane, 2,4-dimethyl-2-[2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethyl]-
CID 109421
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
8a-Methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane]
CID 25058445
1,4-Dioxa-dispiro[4.1.5.3]pentadec-8-ene
CID 66936799
1,4-Dioxaspiro[4.5]dec-7-ene, 7,9,9-trimethyl-
CID 10910189
(4aS)-4a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-4,2'-1,3-dioxolane]
CID 11435732
7'a-methylspiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene]
CID 12435758
(4aR,8aS)-4a,7-dimethylspiro[1,2,3,5,8,8a-hexahydronaphthalene-4,2'-1,3-dioxolane]
CID 13260718
2-Methyl-2-[2-(2-prop-2-ynylidenecyclohexyl)ethyl]-1,3-dioxolane
CID 75079307
7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene]
CID 75219741
8-Ethylidene-6-(2-methylbut-3-yn-2-yl)-1,4-dioxaspiro[4.5]decane
CID 85418656

Frequently Asked Questions

What is the IUPAC name of 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene?
The IUPAC name of 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene (CID 102387986) is 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene.
What is the SMILES notation for 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene?
The canonical SMILES for 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene is CC1=CCCC12CCC1(CC2)OCCO1.
What is the InChIKey of 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene?
The InChIKey is KGWZAFJUJCNFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-11-3-2-4-12(11)5-7-13(8-6-12)14-9-10-15-13/h3H,2,4-10H2,1H3.
What are the key properties of 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene?
4-methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-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 4-methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene is sourced from PubChem (CID 102387986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).