(3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene

C14H12 — CID 98158883

IUPAC(3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene
SMILESc1ccc2c(c1)C1[C@H]3C4C5[C@H]1[C@H]5C2[C@@H]43
InChIInChI=1S/C14H12/c1-2-4-6-5(3-1)7-9-11-8(6)12-10(7)14(12)13(9)11/h1-4,7-14H/t7?,8?,9-,10-,11-,12-,13?,14?/m1/s1
InChIKeyYNJHEGQIMPXSPG-CUXBLVMZSA-N
MW180.25 g/mol
LogP2.62
Rot. Bonds

About (3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene

(3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene (PubChem CID 98158883) has the molecular formula C14H12 and a molecular weight of 180.25 g/mol. Its IUPAC name is (3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene.

Molecular Properties

Compound Name(3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene
PubChem CID98158883
Molecular FormulaC14H12
Molecular Weight180.25 g/mol
Exact Mass180.09
IUPAC Name(3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene
SMILESc1ccc2c(c1)C1[C@H]3C4C5[C@H]1[C@H]5C2[C@@H]43
InChIInChI=1S/C14H12/c1-2-4-6-5(3-1)7-9-11-8(6)12-10(7)14(12)13(9)11/h1-4,7-14H/t7?,8?,9-,10-,11-,12-,13?,14?/m1/s1
InChIKeyYNJHEGQIMPXSPG-CUXBLVMZSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,2S,3S,10S)-hexacyclo[8.8.0.02,18.03,11.04,9.012,17]octadeca-4,6,8,12,14,16-hexaene
CID 98514313
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
(2R,16R)-pentacyclo[7.7.0.02,16.03,8.010,15]hexadeca-3,5,7,10,12,14-hexaene
CID 98514230
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
(2S,3R,4R,6S)-tetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-trien-5-one
CID 177498754
6-oxapentacyclo[8.4.0.02,4.03,8.05,9]tetradeca-1(14),10,12-trien-7-one
CID 90482464
(3R,5S,6S,8S)-11-methoxyhexacyclo[8.4.0.02,5.03,8.04,7.06,9]tetradeca-1(10),11,13-triene
CID 98556362
(1S,2R,9S,10R)-tetracyclo[8.2.1.02,9.03,8]trideca-3,5,7,11-tetraene
CID 11095035
(1S,8S,9R)-9,11-dichlorotricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 23270308
(2R,4R,13R,15R)-nonacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-6,8,10,17,19,21,23,25,27,29,31,33-dodecaene-3,14-dione
CID 99943945
(1S,2S,9R,10R,11R,12R)-11,12-diiodotetracyclo[8.2.1.02,9.03,8]trideca-3,5,7-triene
CID 11201002
(1R,2R,9S,10S,11S,12S)-11,12-dichlorotetracyclo[8.2.1.02,9.03,8]trideca-3,5,7-triene
CID 22216876

Frequently Asked Questions

What is the IUPAC name of (3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene?
The IUPAC name of (3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene (CID 98158883) is (3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene.
What is the SMILES notation for (3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene?
The canonical SMILES for (3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene is c1ccc2c(c1)C1[C@H]3C4C5[C@H]1[C@H]5C2[C@@H]43.
What is the InChIKey of (3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene?
The InChIKey is YNJHEGQIMPXSPG-CUXBLVMZSA-N. The full InChI is InChI=1S/C14H12/c1-2-4-6-5(3-1)7-9-11-8(6)12-10(7)14(12)13(9)11/h1-4,7-14H/t7?,8?,9-,10-,11-,12-,13?,14?/m1/s1.
What are the key properties of (3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene?
(3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene has a molecular weight of 180.25 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,7S,8S)-hexacyclo[8.4.0.02,7.03,5.04,9.06,8]tetradeca-1(14),10,12-triene is sourced from PubChem (CID 98158883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).