8,11-dimethylpentacyclo[11.2.1.01,12.03,8.04,7]hexadecane

C18H28 — CID 123369397

IUPAC8,11-dimethylpentacyclo[11.2.1.01,12.03,8.04,7]hexadecane
SMILESCC1CCC2(C)C3CCC3C2CC23CCC(C2)C13
InChIInChI=1S/C18H28/c1-11-5-7-17(2)14-4-3-13(14)15(17)10-18-8-6-12(9-18)16(11)18/h11-16H,3-10H2,1-2H3
InChIKeyRUZZRPFGJMPGHE-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.89
Rot. Bonds

About 8,11-dimethylpentacyclo[11.2.1.01,12.03,8.04,7]hexadecane

8,11-dimethylpentacyclo[11.2.1.01,12.03,8.04,7]hexadecane (PubChem CID 123369397) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 8,11-dimethylpentacyclo[11.2.1.01,12.03,8.04,7]hexadecane.

Molecular Properties

Compound Name8,11-dimethylpentacyclo[11.2.1.01,12.03,8.04,7]hexadecane
PubChem CID123369397
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name8,11-dimethylpentacyclo[11.2.1.01,12.03,8.04,7]hexadecane
SMILESCC1CCC2(C)C3CCC3C2CC23CCC(C2)C13
InChIInChI=1S/C18H28/c1-11-5-7-17(2)14-4-3-13(14)15(17)10-18-8-6-12(9-18)16(11)18/h11-16H,3-10H2,1-2H3
InChIKeyRUZZRPFGJMPGHE-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 70359451
(10aR)-4a,6a,7-trimethyl-2,3,4,4b,5,6,6b,7,8,9,10,10a,11,11a,11b,12,13,13a-octadecahydro-1H-indeno[2,1-a]phenanthrene
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[(3S,4R,5R,8S,9R,10R,13R,14R,17S)-3,4,10,13-tetramethyl-16-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
CID 118580237
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CID 71615064
(1S,2aS,5R,5aS,8R,8aR,8bR)-5-(hydroxymethyl)-1,8-dimethyl-2,2a,3,4,5a,6,7,8,8a,8b-decahydrocyclobuta[e]azulene-1,5-diol
CID 102197938
2,8-dimethyltricyclo[5.3.0.02,5]decan-6-ol
CID 130146858
(1R,2S,5R,6R,7S,8S)-2,8-dimethyl-6-prop-1-en-2-yltricyclo[5.3.0.02,5]decane
CID 11458377
[(10R,13S,17S)-4,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
CID 163656768
4a,6a,7,10-tetramethyl-10-propan-2-yl-1,2,3,4,4b,5,6,6b,7,8,9,10a,11,11a,11b,12,13,13a-octadecahydroindeno[2,1-a]phenanthrene
CID 165359394
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CID 54300933
(3R,5R,8R,9R,10S,13S,14S,17R)-3-(fluoromethyl)-13-methyl-17-prop-1-en-2-yl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
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2-bromo-1-[(2S,3S,5S,8R,9S,10S,13S,14S,17S)-2,3,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CID 118186239

Frequently Asked Questions

What is the IUPAC name of 8,11-dimethylpentacyclo[11.2.1.01,12.03,8.04,7]hexadecane?
The IUPAC name of 8,11-dimethylpentacyclo[11.2.1.01,12.03,8.04,7]hexadecane (CID 123369397) is 8,11-dimethylpentacyclo[11.2.1.01,12.03,8.04,7]hexadecane.
What is the SMILES notation for 8,11-dimethylpentacyclo[11.2.1.01,12.03,8.04,7]hexadecane?
The canonical SMILES for 8,11-dimethylpentacyclo[11.2.1.01,12.03,8.04,7]hexadecane is CC1CCC2(C)C3CCC3C2CC23CCC(C2)C13.
What is the InChIKey of 8,11-dimethylpentacyclo[11.2.1.01,12.03,8.04,7]hexadecane?
The InChIKey is RUZZRPFGJMPGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-11-5-7-17(2)14-4-3-13(14)15(17)10-18-8-6-12(9-18)16(11)18/h11-16H,3-10H2,1-2H3.
What are the key properties of 8,11-dimethylpentacyclo[11.2.1.01,12.03,8.04,7]hexadecane?
8,11-dimethylpentacyclo[11.2.1.01,12.03,8.04,7]hexadecane has a molecular weight of 244.42 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dimethylpentacyclo[11.2.1.01,12.03,8.04,7]hexadecane is sourced from PubChem (CID 123369397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).