(1R,3R)-2-[(1S,3S)-2-hydroxy-2-tricyclo[4.2.1.03,9]nona-4,7-dienyl]tricyclo[4.2.1.03,9]nona-4,7-dien-2-ol

C18H18O2 — CID 99958168

IUPAC(1R,3R)-2-[(1S,3S)-2-hydroxy-2-tricyclo[4.2.1.03,9]nona-4,7-dienyl]tricyclo[4.2.1.03,9]nona-4,7-dien-2-ol
SMILESOC1(C2(O)[C@H]3C=CC4C=C[C@H]2C43)[C@@H]2C=CC3C=C[C@@H]1C32
InChIInChI=1S/C18H18O2/c19-17(11-5-1-9-2-6-12(17)15(9)11)18(20)13-7-3-10-4-8-14(18)16(10)13/h1-16,19-20H/t9?,10?,11-,12-,13+,14+,15?,16?,17?,18?
InChIKeyYEIRPFJKGOBAFF-MJICYONXSA-N
MW266.34 g/mol
LogP1.68
Rot. Bonds1

About (1R,3R)-2-[(1S,3S)-2-hydroxy-2-tricyclo[4.2.1.03,9]nona-4,7-dienyl]tricyclo[4.2.1.03,9]nona-4,7-dien-2-ol

(1R,3R)-2-[(1S,3S)-2-hydroxy-2-tricyclo[4.2.1.03,9]nona-4,7-dienyl]tricyclo[4.2.1.03,9]nona-4,7-dien-2-ol (PubChem CID 99958168) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1R,3R)-2-[(1S,3S)-2-hydroxy-2-tricyclo[4.2.1.03,9]nona-4,7-dienyl]tricyclo[4.2.1.03,9]nona-4,7-dien-2-ol.

Molecular Properties

Compound Name(1R,3R)-2-[(1S,3S)-2-hydroxy-2-tricyclo[4.2.1.03,9]nona-4,7-dienyl]tricyclo[4.2.1.03,9]nona-4,7-dien-2-ol
PubChem CID99958168
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(1R,3R)-2-[(1S,3S)-2-hydroxy-2-tricyclo[4.2.1.03,9]nona-4,7-dienyl]tricyclo[4.2.1.03,9]nona-4,7-dien-2-ol
SMILESOC1(C2(O)[C@H]3C=CC4C=C[C@H]2C43)[C@@H]2C=CC3C=C[C@@H]1C32
InChIInChI=1S/C18H18O2/c19-17(11-5-1-9-2-6-12(17)15(9)11)18(20)13-7-3-10-4-8-14(18)16(10)13/h1-16,19-20H/t9?,10?,11-,12-,13+,14+,15?,16?,17?,18?
InChIKeyYEIRPFJKGOBAFF-MJICYONXSA-N
XLogP1.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,4R,7R,10R)-2-[(1R,2R,4R,7R,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]deca-5,8-dienyl]tricyclo[5.2.1.04,10]deca-5,8-dien-2-ol
CID 124802180
(2R,7S,9R,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11,15,17,19-pentaene
CID 102306199
3-(3-tricyclo[3.2.2.02,4]nona-6,8-dienylidene)tricyclo[3.2.2.02,4]nona-6,8-diene
CID 100951206
CID 125033247
CID 125033247
(2S,5S,8R,11R)-tetracyclo[6.3.1.02,11.05,12]dodeca-3,6,9-triene
CID 101404891
(2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene
CID 121002324
4,4-bis(trifluoromethyl)bicyclo[3.2.0]hepta-2,6-diene
CID 594359
tetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione
CID 14893582
dimethyl (1S,4S,7R,10R)-pentacyclo[6.4.0.02,10.03,7.04,9]dodeca-5,11-diene-8,9-dicarboxylate
CID 10869421
dimethyl (1R,4S,7S,10R)-pentacyclo[6.4.0.02,10.03,7.04,9]dodeca-5,11-diene-8,9-dicarboxylate
CID 98158983
1-bromotricyclo[3.1.0.02,6]hex-3-ene
CID 15568692
(1R,4R,7R,10R)-2-[(1R,4S,7S,10S)-2-tricyclo[5.2.1.04,10]deca-2,5,8-trienyl]tricyclo[5.2.1.04,10]deca-2,5,8-triene
CID 125036364

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-2-[(1S,3S)-2-hydroxy-2-tricyclo[4.2.1.03,9]nona-4,7-dienyl]tricyclo[4.2.1.03,9]nona-4,7-dien-2-ol?
The IUPAC name of (1R,3R)-2-[(1S,3S)-2-hydroxy-2-tricyclo[4.2.1.03,9]nona-4,7-dienyl]tricyclo[4.2.1.03,9]nona-4,7-dien-2-ol (CID 99958168) is (1R,3R)-2-[(1S,3S)-2-hydroxy-2-tricyclo[4.2.1.03,9]nona-4,7-dienyl]tricyclo[4.2.1.03,9]nona-4,7-dien-2-ol.
What is the SMILES notation for (1R,3R)-2-[(1S,3S)-2-hydroxy-2-tricyclo[4.2.1.03,9]nona-4,7-dienyl]tricyclo[4.2.1.03,9]nona-4,7-dien-2-ol?
The canonical SMILES for (1R,3R)-2-[(1S,3S)-2-hydroxy-2-tricyclo[4.2.1.03,9]nona-4,7-dienyl]tricyclo[4.2.1.03,9]nona-4,7-dien-2-ol is OC1(C2(O)[C@H]3C=CC4C=C[C@H]2C43)[C@@H]2C=CC3C=C[C@@H]1C32.
What is the InChIKey of (1R,3R)-2-[(1S,3S)-2-hydroxy-2-tricyclo[4.2.1.03,9]nona-4,7-dienyl]tricyclo[4.2.1.03,9]nona-4,7-dien-2-ol?
The InChIKey is YEIRPFJKGOBAFF-MJICYONXSA-N. The full InChI is InChI=1S/C18H18O2/c19-17(11-5-1-9-2-6-12(17)15(9)11)18(20)13-7-3-10-4-8-14(18)16(10)13/h1-16,19-20H/t9?,10?,11-,12-,13+,14+,15?,16?,17?,18?.
What are the key properties of (1R,3R)-2-[(1S,3S)-2-hydroxy-2-tricyclo[4.2.1.03,9]nona-4,7-dienyl]tricyclo[4.2.1.03,9]nona-4,7-dien-2-ol?
(1R,3R)-2-[(1S,3S)-2-hydroxy-2-tricyclo[4.2.1.03,9]nona-4,7-dienyl]tricyclo[4.2.1.03,9]nona-4,7-dien-2-ol has a molecular weight of 266.34 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-2-[(1S,3S)-2-hydroxy-2-tricyclo[4.2.1.03,9]nona-4,7-dienyl]tricyclo[4.2.1.03,9]nona-4,7-dien-2-ol is sourced from PubChem (CID 99958168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).