(7S,8S)-7-ethenyl-7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane

C14H22O2 — CID 71763484

IUPAC(7S,8S)-7-ethenyl-7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane
SMILESC=C[C@]1(C)CC2(CC[C@H]1C(=C)C)OCCO2
InChIInChI=1S/C14H22O2/c1-5-13(4)10-14(15-8-9-16-14)7-6-12(13)11(2)3/h5,12H,1-2,6-10H2,3-4H3/t12-,13+/m0/s1
InChIKeyCTRGTOAYZCELOQ-QWHCGFSZSA-N
MW222.33 g/mol
LogP3.30
Rot. Bonds2

About (7S,8S)-7-ethenyl-7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane

(7S,8S)-7-ethenyl-7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane (PubChem CID 71763484) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (7S,8S)-7-ethenyl-7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(7S,8S)-7-ethenyl-7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane
PubChem CID71763484
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(7S,8S)-7-ethenyl-7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane
SMILESC=C[C@]1(C)CC2(CC[C@H]1C(=C)C)OCCO2
InChIInChI=1S/C14H22O2/c1-5-13(4)10-14(15-8-9-16-14)7-6-12(13)11(2)3/h5,12H,1-2,6-10H2,3-4H3/t12-,13+/m0/s1
InChIKeyCTRGTOAYZCELOQ-QWHCGFSZSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.30
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

1,10-Dihydronootkatone ketal
CID 76312505
Spiro[bicyclo[3.2.1]oct-6-ene-2,2'-[1,3]dioxolane], 1,8,8-trimethyl-
CID 376764
7-Ethyl-8-fluoro-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane
CID 174163241
cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-methylidenecyclohexan-1-ol
CID 11196116
(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
carbanide;2-[(7S,8R)-7-ethenyl-7-methyl-1,4-dioxaspiro[4.5]decan-8-yl]prop-2-enylidenepalladium
CID 134847077
2-[(1S,2S)-1,3,3-trimethyl-2-prop-2-enylcyclohexyl]-1,3-dioxolane
CID 134860311
9-But-3-enyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane
CID 317034
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
2-methyl-2-[(1S,2R)-2-methyl-2-prop-2-enylcyclobutyl]-1,3-dioxolane
CID 10465284

Frequently Asked Questions

What is the IUPAC name of (7S,8S)-7-ethenyl-7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (7S,8S)-7-ethenyl-7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane (CID 71763484) is (7S,8S)-7-ethenyl-7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (7S,8S)-7-ethenyl-7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (7S,8S)-7-ethenyl-7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane is C=C[C@]1(C)CC2(CC[C@H]1C(=C)C)OCCO2.
What is the InChIKey of (7S,8S)-7-ethenyl-7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane?
The InChIKey is CTRGTOAYZCELOQ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-13(4)10-14(15-8-9-16-14)7-6-12(13)11(2)3/h5,12H,1-2,6-10H2,3-4H3/t12-,13+/m0/s1.
What are the key properties of (7S,8S)-7-ethenyl-7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane?
(7S,8S)-7-ethenyl-7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane has a molecular weight of 222.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8S)-7-ethenyl-7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 71763484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).