11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane

C17H26 — CID 123292612

IUPAC11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
SMILESCC1(C)CC2C(C1)C1CC2C2C3CCC(C3)C12
InChIInChI=1S/C17H26/c1-17(2)7-13-11-6-12(14(13)8-17)16-10-4-3-9(5-10)15(11)16/h9-16H,3-8H2,1-2H3
InChIKeyUNLQTEYLPRAKNB-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.35
Rot. Bonds

About 11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane

11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane (PubChem CID 123292612) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane.

Molecular Properties

Compound Name11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
PubChem CID123292612
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
SMILESCC1(C)CC2C(C1)C1CC2C2C3CCC(C3)C12
InChIInChI=1S/C17H26/c1-17(2)7-13-11-6-12(14(13)8-17)16-10-4-3-9(5-10)15(11)16/h9-16H,3-8H2,1-2H3
InChIKeyUNLQTEYLPRAKNB-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Related Compounds

6,6-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane
CID 123857656
5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane
CID 143329960
4,4,6,7-tetramethyltricyclo[8.2.0.02,12]dodecane
CID 123703409
ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane
CID 91554389
ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 91597819
(1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol
CID 10774199
4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 565737
tetrakis(pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane);tris(pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane)
CID 158145834
bis(4,4-dimethyltricyclo[5.2.1.02,6]decane);ethane;phenol
CID 159244337
(1S,2R,3S,5R,6S,7R)-4,4-dimethyltetracyclo[5.2.1.02,6.03,5]decane
CID 134980447
4,4,10-trimethyltricyclo[5.2.1.02,6]decane
CID 142502151
5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 70849409

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane?
The IUPAC name of 11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane (CID 123292612) is 11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane.
What is the SMILES notation for 11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane?
The canonical SMILES for 11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane is CC1(C)CC2C(C1)C1CC2C2C3CCC(C3)C12.
What is the InChIKey of 11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane?
The InChIKey is UNLQTEYLPRAKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-17(2)7-13-11-6-12(14(13)8-17)16-10-4-3-9(5-10)15(11)16/h9-16H,3-8H2,1-2H3.
What are the key properties of 11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane?
11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane has a molecular weight of 230.39 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane is sourced from PubChem (CID 123292612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).