8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane

C17H26 — CID 123730283

IUPAC8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane
SMILESCC1C2C3CC4CC3C3C(C)C(C)(C41C)C23C
InChIInChI=1S/C17H26/c1-8-13-11-6-10-7-12(11)14-9(2)17(5,15(8,10)3)16(13,14)4/h8-14H,6-7H2,1-5H3
InChIKeyVQEZWIZRYNFAFS-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.21
Rot. Bonds

About 8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane

8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane (PubChem CID 123730283) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane.

Molecular Properties

Compound Name8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane
PubChem CID123730283
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane
SMILESCC1C2C3CC4CC3C3C(C)C(C)(C41C)C23C
InChIInChI=1S/C17H26/c1-8-13-11-6-10-7-12(11)14-9(2)17(5,15(8,10)3)16(13,14)4/h8-14H,6-7H2,1-5H3
InChIKeyVQEZWIZRYNFAFS-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3,4,5,11-pentamethylpentacyclo[8.2.1.02,9.03,8.04,7]tridecane
CID 123861218
3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 58143174
4,5,6-trimethyloctacyclo[7.5.1.01,8.02,5.02,7.03,14.011,15.013,15]pentadecane
CID 144514053
4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane
CID 174043765
(1S,2R,3S,7S)-1,2,7-trimethyltricyclo[3.2.1.03,8]octane
CID 163751027
1,4,6,7,8,11-hexamethyltetracyclo[5.3.1.02,9.03,6]undecane
CID 123392988
1,2,8-trimethyltetracyclo[3.3.1.03,9.07,9]nonane
CID 123216634
1,2,3,9,10-pentamethyltetracyclo[4.4.0.02,5.07,10]decane
CID 123696260
1,2,2,3,5,5,6-heptamethylbicyclo[2.1.1]hexane
CID 142061780
(2R,5R)-1,2,3,4,5-pentamethyltricyclo[3.1.0.02,6]hexane
CID 163529293
9,10,11-trimethylpentacyclo[6.3.1.01,7.02,6.04,10]dodecane
CID 123902270
1,2,3,4,5,6,12,14,14-nonamethyl-3-propan-2-ylhexacyclo[6.6.0.02,7.04,13.05,11.09,13]tetradecane
CID 123841923

Frequently Asked Questions

What is the IUPAC name of 8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane?
The IUPAC name of 8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane (CID 123730283) is 8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane.
What is the SMILES notation for 8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane?
The canonical SMILES for 8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane is CC1C2C3CC4CC3C3C(C)C(C)(C41C)C23C.
What is the InChIKey of 8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane?
The InChIKey is VQEZWIZRYNFAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-8-13-11-6-10-7-12(11)14-9(2)17(5,15(8,10)3)16(13,14)4/h8-14H,6-7H2,1-5H3.
What are the key properties of 8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane?
8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane has a molecular weight of 230.39 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane is sourced from PubChem (CID 123730283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).