pentacyclo[9.1.0.01,3.04,6.07,9]dodecane

C12H16 — CID 15781414

IUPACpentacyclo[9.1.0.01,3.04,6.07,9]dodecane
SMILESC1C2CC3CC34CC4C3CC3C12
InChIInChI=1S/C12H16/c1-6-2-8(6)9-3-10(9)11-5-12(11)4-7(1)12/h6-11H,1-5H2
InChIKeyQQVYYJXOYVZEDI-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.69
Rot. Bonds

About pentacyclo[9.1.0.01,3.04,6.07,9]dodecane

pentacyclo[9.1.0.01,3.04,6.07,9]dodecane (PubChem CID 15781414) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is pentacyclo[9.1.0.01,3.04,6.07,9]dodecane.

Molecular Properties

Compound Namepentacyclo[9.1.0.01,3.04,6.07,9]dodecane
PubChem CID15781414
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Namepentacyclo[9.1.0.01,3.04,6.07,9]dodecane
SMILESC1C2CC3CC34CC4C3CC3C12
InChIInChI=1S/C12H16/c1-6-2-8(6)9-3-10(9)11-5-12(11)4-7(1)12/h6-11H,1-5H2
InChIKeyQQVYYJXOYVZEDI-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

pentacyclo[5.4.1.01,3.05,9.08,11]dodecane
CID 139773334
pentacyclo[6.4.0.02,7.03,11.05,10]dodecane
CID 90708847
(1R)-tetracyclo[4.2.0.01,7.03,5]octane
CID 148765284
pentacyclo[8.4.0.03,7.04,13.06,11]tetradecane
CID 604684
(1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol
CID 124536655
N-[[(1S,2R,4S,5R,6S)-6-tricyclo[3.2.1.02,4]octanyl]methyl]adamantane-1-carboxamide
CID 98130254
heptacyclo[12.2.1.110,13.02,5.03,16.06,9.08,11]octadecane
CID 59938675
(1S,2R,4S,5R,6S)-6-ethenyltricyclo[3.2.1.02,4]octane
CID 143370752
(1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane
CID 163918664
11-methyltetracyclo[8.2.0.02,4.06,8]dodecane
CID 123240466
(6R)-pentacyclo[5.4.0.02,6.03,5.08,10]undecane
CID 163852923
2-(2-bicyclo[2.2.0]hexanyl)bicyclo[3.1.0]hexane
CID 152868631

Frequently Asked Questions

What is the IUPAC name of pentacyclo[9.1.0.01,3.04,6.07,9]dodecane?
The IUPAC name of pentacyclo[9.1.0.01,3.04,6.07,9]dodecane (CID 15781414) is pentacyclo[9.1.0.01,3.04,6.07,9]dodecane.
What is the SMILES notation for pentacyclo[9.1.0.01,3.04,6.07,9]dodecane?
The canonical SMILES for pentacyclo[9.1.0.01,3.04,6.07,9]dodecane is C1C2CC3CC34CC4C3CC3C12.
What is the InChIKey of pentacyclo[9.1.0.01,3.04,6.07,9]dodecane?
The InChIKey is QQVYYJXOYVZEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-6-2-8(6)9-3-10(9)11-5-12(11)4-7(1)12/h6-11H,1-5H2.
What are the key properties of pentacyclo[9.1.0.01,3.04,6.07,9]dodecane?
pentacyclo[9.1.0.01,3.04,6.07,9]dodecane has a molecular weight of 160.26 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[9.1.0.01,3.04,6.07,9]dodecane is sourced from PubChem (CID 15781414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).