(1R,2R,4R,6S,7S,8R,9S)-1,6,7-trimethyl-4-prop-1-en-2-yltricyclo[4.3.0.02,9]nonan-8-ol

C15H24O — CID 11020428

IUPAC(1R,2R,4R,6S,7S,8R,9S)-1,6,7-trimethyl-4-prop-1-en-2-yltricyclo[4.3.0.02,9]nonan-8-ol
SMILESC=C(C)[C@@H]1C[C@@H]2[C@@H]3[C@H](O)[C@@H](C)[C@](C)(C1)[C@@]32C
InChIInChI=1S/C15H24O/c1-8(2)10-6-11-12-13(16)9(3)14(4,7-10)15(11,12)5/h9-13,16H,1,6-7H2,2-5H3/t9-,10-,11-,12-,13-,14+,15-/m1/s1
InChIKeyDTULNMAGTWHASA-LPZKKVOTSA-N
MW220.36 g/mol
LogP3.24
Rot. Bonds1

About (1R,2R,4R,6S,7S,8R,9S)-1,6,7-trimethyl-4-prop-1-en-2-yltricyclo[4.3.0.02,9]nonan-8-ol

(1R,2R,4R,6S,7S,8R,9S)-1,6,7-trimethyl-4-prop-1-en-2-yltricyclo[4.3.0.02,9]nonan-8-ol (PubChem CID 11020428) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,2R,4R,6S,7S,8R,9S)-1,6,7-trimethyl-4-prop-1-en-2-yltricyclo[4.3.0.02,9]nonan-8-ol.

Molecular Properties

Compound Name(1R,2R,4R,6S,7S,8R,9S)-1,6,7-trimethyl-4-prop-1-en-2-yltricyclo[4.3.0.02,9]nonan-8-ol
PubChem CID11020428
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,2R,4R,6S,7S,8R,9S)-1,6,7-trimethyl-4-prop-1-en-2-yltricyclo[4.3.0.02,9]nonan-8-ol
SMILESC=C(C)[C@@H]1C[C@@H]2[C@@H]3[C@H](O)[C@@H](C)[C@](C)(C1)[C@@]32C
InChIInChI=1S/C15H24O/c1-8(2)10-6-11-12-13(16)9(3)14(4,7-10)15(11,12)5/h9-13,16H,1,6-7H2,2-5H3/t9-,10-,11-,12-,13-,14+,15-/m1/s1
InChIKeyDTULNMAGTWHASA-LPZKKVOTSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2R,4R,6S,7S,8R,9S)-1,6,7-trimethyl-4-prop-1-en-2-yltricyclo[4.3.0.02,9]nonan-8-ol with MolForge

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Related Compounds

(1S,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol
CID 124637804
(1S,3aS,4R,7S,8aS)-1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol
CID 71719409
(1S,2S,4R,5S)-1-methyl-4-prop-1-en-2-ylbicyclo[3.1.0]hexan-2-ol
CID 130990108
1-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
CID 155018164
1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,2,4-triol
CID 162838745
(1R,3R,4aR,5R,8aS)-5,8a-dimethyl-3-prop-1-en-2-yl-1,2,3,4,5,8-hexahydronaphthalene-1,4a-diol
CID 11322328
(1S,4R,4aR,6R,8aS)-4,8a-dimethyl-6-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol
CID 162963435
(1S,3R,6R,8S,9S)-3,9-dimethyl-6-prop-1-en-2-yl-2-oxatricyclo[6.3.0.01,3]undecane
CID 11117572
(3S,5R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol
CID 129317216
(1S,2R,4S)-1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
CID 86310295
8a-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-2,3,3a,4,5,6,7,8-octahydroazulen-1-one
CID 10376840
(1S,4aS,7R,8aS)-1,4a-dimethyl-7-prop-1-en-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
CID 10944021

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,6S,7S,8R,9S)-1,6,7-trimethyl-4-prop-1-en-2-yltricyclo[4.3.0.02,9]nonan-8-ol?
The IUPAC name of (1R,2R,4R,6S,7S,8R,9S)-1,6,7-trimethyl-4-prop-1-en-2-yltricyclo[4.3.0.02,9]nonan-8-ol (CID 11020428) is (1R,2R,4R,6S,7S,8R,9S)-1,6,7-trimethyl-4-prop-1-en-2-yltricyclo[4.3.0.02,9]nonan-8-ol.
What is the SMILES notation for (1R,2R,4R,6S,7S,8R,9S)-1,6,7-trimethyl-4-prop-1-en-2-yltricyclo[4.3.0.02,9]nonan-8-ol?
The canonical SMILES for (1R,2R,4R,6S,7S,8R,9S)-1,6,7-trimethyl-4-prop-1-en-2-yltricyclo[4.3.0.02,9]nonan-8-ol is C=C(C)[C@@H]1C[C@@H]2[C@@H]3[C@H](O)[C@@H](C)[C@](C)(C1)[C@@]32C.
What is the InChIKey of (1R,2R,4R,6S,7S,8R,9S)-1,6,7-trimethyl-4-prop-1-en-2-yltricyclo[4.3.0.02,9]nonan-8-ol?
The InChIKey is DTULNMAGTWHASA-LPZKKVOTSA-N. The full InChI is InChI=1S/C15H24O/c1-8(2)10-6-11-12-13(16)9(3)14(4,7-10)15(11,12)5/h9-13,16H,1,6-7H2,2-5H3/t9-,10-,11-,12-,13-,14+,15-/m1/s1.
What are the key properties of (1R,2R,4R,6S,7S,8R,9S)-1,6,7-trimethyl-4-prop-1-en-2-yltricyclo[4.3.0.02,9]nonan-8-ol?
(1R,2R,4R,6S,7S,8R,9S)-1,6,7-trimethyl-4-prop-1-en-2-yltricyclo[4.3.0.02,9]nonan-8-ol has a molecular weight of 220.36 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,6S,7S,8R,9S)-1,6,7-trimethyl-4-prop-1-en-2-yltricyclo[4.3.0.02,9]nonan-8-ol is sourced from PubChem (CID 11020428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).