tetracyclo[9.7.0.03,8.012,16]octadecane

C18H30 — CID 140868120

IUPACtetracyclo[9.7.0.03,8.012,16]octadecane
SMILESC1CCC2CC3CCC4CCCC4C3CCC2C1
InChIInChI=1S/C18H30/c1-2-5-15-12-16-9-8-14-6-3-7-17(14)18(16)11-10-13(15)4-1/h13-18H,1-12H2
InChIKeyBCXOKSGAJNDVAS-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.42
Rot. Bonds

About tetracyclo[9.7.0.03,8.012,16]octadecane

tetracyclo[9.7.0.03,8.012,16]octadecane (PubChem CID 140868120) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is tetracyclo[9.7.0.03,8.012,16]octadecane.

Molecular Properties

Compound Nametetracyclo[9.7.0.03,8.012,16]octadecane
PubChem CID140868120
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Nametetracyclo[9.7.0.03,8.012,16]octadecane
SMILESC1CCC2CC3CCC4CCCC4C3CCC2C1
InChIInChI=1S/C18H30/c1-2-5-15-12-16-9-8-14-6-3-7-17(14)18(16)11-10-13(15)4-1/h13-18H,1-12H2
InChIKeyBCXOKSGAJNDVAS-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tricyclo[4.4.0.02,8]decane
CID 585864
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011
2-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene
CID 164666249
(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
tetracyclo[6.6.2.22,7.19,14]nonadecane
CID 123381567
(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;adamantane;bicyclo[2.2.1]heptane;cyclobutane;cyclododecane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;tricyclo[5.2.1.02,6]decane
CID 159041976
(4aS,8aR)-2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 89170380
(8aR)-2-(6-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 89170961
11-[3-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-4-yl)-5-(6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-8-cyclohexyl-2,3,4,4a,5,6,6a,7,7a,8,9,10,11,11a,11b,11c-hexadecahydro-1H-benzo[c]fluorene
CID 167402176
(2-cyclopropylcyclobutyl)cyclopentane
CID 54374966

Frequently Asked Questions

What is the IUPAC name of tetracyclo[9.7.0.03,8.012,16]octadecane?
The IUPAC name of tetracyclo[9.7.0.03,8.012,16]octadecane (CID 140868120) is tetracyclo[9.7.0.03,8.012,16]octadecane.
What is the SMILES notation for tetracyclo[9.7.0.03,8.012,16]octadecane?
The canonical SMILES for tetracyclo[9.7.0.03,8.012,16]octadecane is C1CCC2CC3CCC4CCCC4C3CCC2C1.
What is the InChIKey of tetracyclo[9.7.0.03,8.012,16]octadecane?
The InChIKey is BCXOKSGAJNDVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-2-5-15-12-16-9-8-14-6-3-7-17(14)18(16)11-10-13(15)4-1/h13-18H,1-12H2.
What are the key properties of tetracyclo[9.7.0.03,8.012,16]octadecane?
tetracyclo[9.7.0.03,8.012,16]octadecane has a molecular weight of 246.44 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[9.7.0.03,8.012,16]octadecane is sourced from PubChem (CID 140868120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).