11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane

C13H20O — CID 141144427

IUPAC11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane
SMILESC1CCC2C(C1)CC1C2CCC2OC21
InChIInChI=1S/C13H20O/c1-2-4-9-8(3-1)7-11-10(9)5-6-12-13(11)14-12/h8-13H,1-7H2
InChIKeyGOEPNGRGTONVPZ-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.99
Rot. Bonds

About 11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane

11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane (PubChem CID 141144427) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane.

Molecular Properties

Compound Name11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane
PubChem CID141144427
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane
SMILESC1CCC2C(C1)CC1C2CCC2OC21
InChIInChI=1S/C13H20O/c1-2-4-9-8(3-1)7-11-10(9)5-6-12-13(11)14-12/h8-13H,1-7H2
InChIKeyGOEPNGRGTONVPZ-UHFFFAOYSA-N
XLogP2.99
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 585864
(8S,9R,13S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 145133460
4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(8-cyclohexyl-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-5-yl)-2,3,4,4a,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-indeno[1,2-d]pyrimidine
CID 167402028
2-[8-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-5-yl]-4,6-dicyclohexyl-1,3,5-triazinane
CID 167402747
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-ol
CID 71775317
tetracyclo[9.7.0.03,8.012,16]octadecane
CID 140868120
2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane
CID 152868631
28-oxa-21-azaheptacyclo[18.8.0.02,10.03,8.011,19.012,17.022,27]octacosane
CID 174814413
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011
7-oxatetracyclo[6.4.0.02,6.05,10]dodecane
CID 596297
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CID 162298653

Frequently Asked Questions

What is the IUPAC name of 11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane?
The IUPAC name of 11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane (CID 141144427) is 11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane.
What is the SMILES notation for 11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane?
The canonical SMILES for 11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane is C1CCC2C(C1)CC1C2CCC2OC21.
What is the InChIKey of 11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane?
The InChIKey is GOEPNGRGTONVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-2-4-9-8(3-1)7-11-10(9)5-6-12-13(11)14-12/h8-13H,1-7H2.
What are the key properties of 11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane?
11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane has a molecular weight of 192.30 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane is sourced from PubChem (CID 141144427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).