12'-methylidenespiro[1,3-dioxolane-2,7'-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane]

C17H18O2 — CID 10060885

IUPAC12'-methylidenespiro[1,3-dioxolane-2,7'-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane]
SMILESC=C1C2C3C4C1C1C2C2C3C3C4C1C2C31OCCO1
InChIInChI=1S/C17H18O2/c1-4-5-7-9-6(4)10-8(5)12-11(7)15-13(9)14(10)16(12)17(15)18-2-3-19-17/h5-16H,1-3H2
InChIKeyDFTABEYRBPVVLQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.78
Rot. Bonds

About 12'-methylidenespiro[1,3-dioxolane-2,7'-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane]

12'-methylidenespiro[1,3-dioxolane-2,7'-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane] (PubChem CID 10060885) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 12'-methylidenespiro[1,3-dioxolane-2,7'-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane].

Molecular Properties

Compound Name12'-methylidenespiro[1,3-dioxolane-2,7'-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane]
PubChem CID10060885
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name12'-methylidenespiro[1,3-dioxolane-2,7'-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane]
SMILESC=C1C2C3C4C1C1C2C2C3C3C4C1C2C31OCCO1
InChIInChI=1S/C17H18O2/c1-4-5-7-9-6(4)10-8(5)12-11(7)15-13(9)14(10)16(12)17(15)18-2-3-19-17/h5-16H,1-3H2
InChIKeyDFTABEYRBPVVLQ-UHFFFAOYSA-N
XLogP1.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 12'-methylidenespiro[1,3-dioxolane-2,7'-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane] with MolForge

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Related Compounds

(1'R,2'R,3'S,4'S,5'S,6'R,7'S,8'R,9'R)-spiro[1,3-dioxolane-2,10'-pentacyclo[5.3.0.02,5.03,9.04,8]decane]-6'-ol
CID 124784892
(2'S,3'R,6'S,7'R)-4'-bromospiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,5.03,8.04,7]nonane]
CID 98554868
(1'S,2'R,3'R,5'S,6'S,7'R,9'R,10'R)-spiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-one
CID 99722786
(1'R,2'R,3'S,5'S,6'S,7'R,9'S,10'S)-spiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-one
CID 98083900
CID 129431522
CID 129431522
(1'S,2'S,3'S,5'S,6'R,7'R,8'S,9'S,10'S)-7'-bromospiro[1,3-dioxolane-2,4'-pentacyclo[6.3.0.02,6.03,10.05,9]undecane]
CID 129434303
(1'R,5'S,6'S,7'S,8'S,9'R,10'S)-8'-methylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-ol
CID 146029301
CID 101167428
CID 101167428
(1'R,2'R,3'S,5'R,6'R,8'R,9'S,10'R,11'R,12'R)-spiro[1,3-dioxolane-2,7'-hexacyclo[6.5.0.02,6.03,11.05,10.09,12]tridecane]-1'-ol
CID 10729106
N-benzylspiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-amine
CID 15489265
(6S,7S,8R,10S)-7-ethyl-7-hydroxy-6,8,10-trimethyl-1,4-dioxaspiro[4.5]decan-9-one
CID 11356921
2-methylidene-4,8-dioxaspiro[2.5]octane
CID 67175350

Frequently Asked Questions

What is the IUPAC name of 12'-methylidenespiro[1,3-dioxolane-2,7'-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane]?
The IUPAC name of 12'-methylidenespiro[1,3-dioxolane-2,7'-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane] (CID 10060885) is 12'-methylidenespiro[1,3-dioxolane-2,7'-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane].
What is the SMILES notation for 12'-methylidenespiro[1,3-dioxolane-2,7'-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane]?
The canonical SMILES for 12'-methylidenespiro[1,3-dioxolane-2,7'-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane] is C=C1C2C3C4C1C1C2C2C3C3C4C1C2C31OCCO1.
What is the InChIKey of 12'-methylidenespiro[1,3-dioxolane-2,7'-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane]?
The InChIKey is DFTABEYRBPVVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-4-5-7-9-6(4)10-8(5)12-11(7)15-13(9)14(10)16(12)17(15)18-2-3-19-17/h5-16H,1-3H2.
What are the key properties of 12'-methylidenespiro[1,3-dioxolane-2,7'-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane]?
12'-methylidenespiro[1,3-dioxolane-2,7'-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane] has a molecular weight of 254.33 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12'-methylidenespiro[1,3-dioxolane-2,7'-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane] is sourced from PubChem (CID 10060885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).