7,9,9,13-tetramethyl-5-(2-methylprop-1-enyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane

C20H32O2 — CID 155617527

IUPAC7,9,9,13-tetramethyl-5-(2-methylprop-1-enyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
SMILESCC(C)=CC1OC2CC34CC(C(C)(C)C3CCC4C)C2(C)O1
InChIInChI=1S/C20H32O2/c1-12(2)9-17-21-16-11-20-10-15(19(16,6)22-17)18(4,5)14(20)8-7-13(20)3/h9,13-17H,7-8,10-11H2,1-6H3
InChIKeyKWVZDMPNYOJBEC-UHFFFAOYSA-N
MW304.47 g/mol
LogP4.94
Rot. Bonds1

About 7,9,9,13-tetramethyl-5-(2-methylprop-1-enyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane

7,9,9,13-tetramethyl-5-(2-methylprop-1-enyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane (PubChem CID 155617527) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 7,9,9,13-tetramethyl-5-(2-methylprop-1-enyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane.

Molecular Properties

Compound Name7,9,9,13-tetramethyl-5-(2-methylprop-1-enyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
PubChem CID155617527
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name7,9,9,13-tetramethyl-5-(2-methylprop-1-enyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
SMILESCC(C)=CC1OC2CC34CC(C(C)(C)C3CCC4C)C2(C)O1
InChIInChI=1S/C20H32O2/c1-12(2)9-17-21-16-11-20-10-15(19(16,6)22-17)18(4,5)14(20)8-7-13(20)3/h9,13-17H,7-8,10-11H2,1-6H3
InChIKeyKWVZDMPNYOJBEC-UHFFFAOYSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.94
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

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(1R,3S,7R,8S,10S,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 88565069
(1R,3S,7S,8S,10S,13S)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 168844007
(1R,3S,7R,8R,10R,13R)-5,5,7,9,9,13-hexamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 139598020
(1R,3S,5R,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-[(E)-prop-1-enyl]-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 155126102
(1R,3S,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-(prop-1-enoxymethyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 155727827
(1R,3S,7R,8R,10S,13R)-5,7,9,9,13-pentamethyl-5-prop-2-enoxy-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
CID 155727811
(1R,3S,5R,7R,8R,10S,13R)-5-but-3-enyl-5,7,9,9,13-pentamethyl-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane
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CID 129073791
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CID 142623863
(1S,2R,5S,7R,8S)-2,6,6,8-tetramethyl-8-(3-methylbut-2-enoxy)tricyclo[5.3.1.01,5]undecane
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Frequently Asked Questions

What is the IUPAC name of 7,9,9,13-tetramethyl-5-(2-methylprop-1-enyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
The IUPAC name of 7,9,9,13-tetramethyl-5-(2-methylprop-1-enyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane (CID 155617527) is 7,9,9,13-tetramethyl-5-(2-methylprop-1-enyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane.
What is the SMILES notation for 7,9,9,13-tetramethyl-5-(2-methylprop-1-enyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
The canonical SMILES for 7,9,9,13-tetramethyl-5-(2-methylprop-1-enyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane is CC(C)=CC1OC2CC34CC(C(C)(C)C3CCC4C)C2(C)O1.
What is the InChIKey of 7,9,9,13-tetramethyl-5-(2-methylprop-1-enyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
The InChIKey is KWVZDMPNYOJBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2/c1-12(2)9-17-21-16-11-20-10-15(19(16,6)22-17)18(4,5)14(20)8-7-13(20)3/h9,13-17H,7-8,10-11H2,1-6H3.
What are the key properties of 7,9,9,13-tetramethyl-5-(2-methylprop-1-enyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane?
7,9,9,13-tetramethyl-5-(2-methylprop-1-enyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane has a molecular weight of 304.47 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9,9,13-tetramethyl-5-(2-methylprop-1-enyl)-4,6-dioxatetracyclo[6.5.1.01,10.03,7]tetradecane is sourced from PubChem (CID 155617527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).