4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane

C17H26 — CID 141155389

IUPAC4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESC1CCC(C2CC3CC2C2C4CCC(C4)C32)C1
InChIInChI=1S/C17H26/c1-2-4-10(3-1)14-8-13-9-15(14)17-12-6-5-11(7-12)16(13)17/h10-17H,1-9H2
InChIKeyVZKUNQOHXIKCBI-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.49
Rot. Bonds1

About 4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane

4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 141155389) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID141155389
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane
SMILESC1CCC(C2CC3CC2C2C4CCC(C4)C32)C1
InChIInChI=1S/C17H26/c1-2-4-10(3-1)14-8-13-9-15(14)17-12-6-5-11(7-12)16(13)17/h10-17H,1-9H2
InChIKeyVZKUNQOHXIKCBI-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.49
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

4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 565737
tetracyclo[9.2.1.02,10.03,8]tetradecane
CID 6850833
tetracyclo[10.2.1.05,14.08,13]pentadecane
CID 13164121
hexadecacyclo[22.22.2.03,8.07,12.09,47.010,23.011,20.014,19.018,31.021,30.022,27.025,42.026,39.028,37.029,34.044,48]octatetracontane
CID 140677748
(3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane
CID 58820692
(1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 130857696
heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane
CID 91257687
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
tetracyclo[6.6.2.22,7.19,14]nonadecane
CID 123381567
octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane
CID 101255308
nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane
CID 20700610
pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane
CID 59725363

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane (CID 141155389) is 4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane is C1CCC(C2CC3CC2C2C4CCC(C4)C32)C1.
What is the InChIKey of 4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is VZKUNQOHXIKCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-2-4-10(3-1)14-8-13-9-15(14)17-12-6-5-11(7-12)16(13)17/h10-17H,1-9H2.
What are the key properties of 4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane?
4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 230.39 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 141155389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).