(1R,8R,9S,12S)-10-methyltetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene

C15H14 — CID 124910661

IUPAC(1R,8R,9S,12S)-10-methyltetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene
SMILESCC1=C[C@H]2[C@H]1[C@H]1C=C[C@H]2c2ccccc21
InChIInChI=1S/C15H14/c1-9-8-14-12-6-7-13(15(9)14)11-5-3-2-4-10(11)12/h2-8,12-15H,1H3/t12-,13-,14+,15+/m0/s1
InChIKeyWBOCXLAEZXUHRP-BYNSBNAKSA-N
MW194.28 g/mol
LogP3.63
Rot. Bonds

About (1R,8R,9S,12S)-10-methyltetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene

(1R,8R,9S,12S)-10-methyltetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene (PubChem CID 124910661) has the molecular formula C15H14 and a molecular weight of 194.28 g/mol. Its IUPAC name is (1R,8R,9S,12S)-10-methyltetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene.

Molecular Properties

Compound Name(1R,8R,9S,12S)-10-methyltetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene
PubChem CID124910661
Molecular FormulaC15H14
Molecular Weight194.28 g/mol
Exact Mass194.11
IUPAC Name(1R,8R,9S,12S)-10-methyltetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene
SMILESCC1=C[C@H]2[C@H]1[C@H]1C=C[C@H]2c2ccccc21
InChIInChI=1S/C15H14/c1-9-8-14-12-6-7-13(15(9)14)11-5-3-2-4-10(11)12/h2-8,12-15H,1H3/t12-,13-,14+,15+/m0/s1
InChIKeyWBOCXLAEZXUHRP-BYNSBNAKSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 71544932
heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3,5,7,11,13,15,19,21,23-nonaene
CID 101073246
tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-8,12-diol
CID 130147962
11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene
CID 58427899
heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,18,20,24,26-decaene
CID 140797975
(1R,8S,9S,12S)-8-chlorotricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-12-carbonitrile
CID 131507927
1-methyl-7,7a-dihydro-2aH-cyclobuta[a]indene
CID 134992429
15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
CID 15668870
1,4-dimethyl-1,4-dihydronaphthalene
CID 13283200
(1S,8R,9R,11S)-tetracyclo[6.3.2.02,7.09,11]trideca-2,4,6,12-tetraene-10-carbaldehyde
CID 11830355
[(4aS)-9,9a-dihydro-4aH-fluoren-9-yl]methanol
CID 126589539
(11R)-12-ethenyl-11-methoxytricyclo[6.3.1.02,7]dodeca-2,4,6,9-tetraene
CID 101075610

Frequently Asked Questions

What is the IUPAC name of (1R,8R,9S,12S)-10-methyltetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene?
The IUPAC name of (1R,8R,9S,12S)-10-methyltetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene (CID 124910661) is (1R,8R,9S,12S)-10-methyltetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene.
What is the SMILES notation for (1R,8R,9S,12S)-10-methyltetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene?
The canonical SMILES for (1R,8R,9S,12S)-10-methyltetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene is CC1=C[C@H]2[C@H]1[C@H]1C=C[C@H]2c2ccccc21.
What is the InChIKey of (1R,8R,9S,12S)-10-methyltetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene?
The InChIKey is WBOCXLAEZXUHRP-BYNSBNAKSA-N. The full InChI is InChI=1S/C15H14/c1-9-8-14-12-6-7-13(15(9)14)11-5-3-2-4-10(11)12/h2-8,12-15H,1H3/t12-,13-,14+,15+/m0/s1.
What are the key properties of (1R,8R,9S,12S)-10-methyltetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene?
(1R,8R,9S,12S)-10-methyltetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene has a molecular weight of 194.28 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,9S,12S)-10-methyltetracyclo[6.4.2.02,7.09,12]tetradeca-2,4,6,10,13-pentaene is sourced from PubChem (CID 124910661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).