octacyclo[6.6.0.01,9.02,6.03,13.04,11.05,9.010,14]tetradecane

C14H14 — CID 134899170

IUPACoctacyclo[6.6.0.01,9.02,6.03,13.04,11.05,9.010,14]tetradecane
SMILESC1C2C3C4C1C1C2C25C3C3CC2C15C34
InChIInChI=1S/C14H14/c1-3-7-8-4(1)12-11(3)13-6-2-5(9(7)13)10(8)14(6,12)13/h3-12H,1-2H2
InChIKeyKVXAPGQINWJADS-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.01
Rot. Bonds

About octacyclo[6.6.0.01,9.02,6.03,13.04,11.05,9.010,14]tetradecane

octacyclo[6.6.0.01,9.02,6.03,13.04,11.05,9.010,14]tetradecane (PubChem CID 134899170) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is octacyclo[6.6.0.01,9.02,6.03,13.04,11.05,9.010,14]tetradecane.

Molecular Properties

Compound Nameoctacyclo[6.6.0.01,9.02,6.03,13.04,11.05,9.010,14]tetradecane
PubChem CID134899170
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Nameoctacyclo[6.6.0.01,9.02,6.03,13.04,11.05,9.010,14]tetradecane
SMILESC1C2C3C4C1C1C2C25C3C3CC2C15C34
InChIInChI=1S/C14H14/c1-3-7-8-4(1)12-11(3)13-6-2-5(9(7)13)10(8)14(6,12)13/h3-12H,1-2H2
InChIKeyKVXAPGQINWJADS-UHFFFAOYSA-N
XLogP2.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

heptacyclo[8.4.0.02,12.03,8.04,6.05,9.011,13]tetradecane-2,10-diol
CID 14762495
(3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane
CID 163021174
(1'R,2R,2'R,3'S,5'S,6'S,7'S,9'R,10'S)-spiro[oxirane-2,8'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]
CID 124710793
(1R,2R,3R,6R,7S,8S)-4-ethenylpentacyclo[4.3.0.02,4.03,8.05,7]nonane
CID 124834846
(1S,7R)-tetracyclo[4.3.0.02,4.03,7]nonane-8,8,9,9-tetracarbonitrile
CID 134979367
(1R,2S,3S,5S,6S,8S,9R,10S)-4,4-dibromopentacyclo[6.3.0.02,6.03,10.05,9]undecane
CID 124764003
4-chloropentacyclo[4.3.0.02,5.03,8.04,7]nonane
CID 10397012
(1R,2R,3S,5R,6S,7S,8S,9R,10S,11R)-8,11-bis(aminomethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol
CID 71535804
(1R,18S,19R,20R,21S,22S,23R,24R,25S,26S)-5,8,11,14,27-pentaoxaheptacyclo[16.8.1.120,25.01,23.018,22.019,26.021,24]octacosane
CID 11058243
spiro[pentacyclo[6.3.0.02,6.03,10.05,9]undecane-4,11'-pentacyclo[6.4.0.02,6.03,10.05,9]dodecane]
CID 91734240
methyl (1R,2R,3R,6R,7R,8R)-pentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate
CID 98554819
(1R,2R,3R,4R,6R,7S,8R,9S,10R,12S)-4-(trichloromethyl)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane
CID 98043608

Frequently Asked Questions

What is the IUPAC name of octacyclo[6.6.0.01,9.02,6.03,13.04,11.05,9.010,14]tetradecane?
The IUPAC name of octacyclo[6.6.0.01,9.02,6.03,13.04,11.05,9.010,14]tetradecane (CID 134899170) is octacyclo[6.6.0.01,9.02,6.03,13.04,11.05,9.010,14]tetradecane.
What is the SMILES notation for octacyclo[6.6.0.01,9.02,6.03,13.04,11.05,9.010,14]tetradecane?
The canonical SMILES for octacyclo[6.6.0.01,9.02,6.03,13.04,11.05,9.010,14]tetradecane is C1C2C3C4C1C1C2C25C3C3CC2C15C34.
What is the InChIKey of octacyclo[6.6.0.01,9.02,6.03,13.04,11.05,9.010,14]tetradecane?
The InChIKey is KVXAPGQINWJADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14/c1-3-7-8-4(1)12-11(3)13-6-2-5(9(7)13)10(8)14(6,12)13/h3-12H,1-2H2.
What are the key properties of octacyclo[6.6.0.01,9.02,6.03,13.04,11.05,9.010,14]tetradecane?
octacyclo[6.6.0.01,9.02,6.03,13.04,11.05,9.010,14]tetradecane has a molecular weight of 182.27 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octacyclo[6.6.0.01,9.02,6.03,13.04,11.05,9.010,14]tetradecane is sourced from PubChem (CID 134899170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).