(1R,3R,7S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol

C15H24O — CID 162844275

IUPAC(1R,3R,7S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol
SMILESCC1=CC(O)C2[C@@H]3C1[C@@]2(C)CC[C@H]3C(C)C
InChIInChI=1S/C15H24O/c1-8(2)10-5-6-15(4)13-9(3)7-11(16)14(15)12(10)13/h7-8,10-14,16H,5-6H2,1-4H3/t10-,11?,12-,13?,14?,15+/m0/s1
InChIKeyLTXWSWWXNHYXCW-DBHCIVLDSA-N
MW220.36 g/mol
LogP3.24
Rot. Bonds1

About (1R,3R,7S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol

(1R,3R,7S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol (PubChem CID 162844275) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,3R,7S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol.

Molecular Properties

Compound Name(1R,3R,7S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol
PubChem CID162844275
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,3R,7S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol
SMILESCC1=CC(O)C2[C@@H]3C1[C@@]2(C)CC[C@H]3C(C)C
InChIInChI=1S/C15H24O/c1-8(2)10-5-6-15(4)13-9(3)7-11(16)14(15)12(10)13/h7-8,10-14,16H,5-6H2,1-4H3/t10-,11?,12-,13?,14?,15+/m0/s1
InChIKeyLTXWSWWXNHYXCW-DBHCIVLDSA-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,3R,7S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol with MolForge

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Launch Full Analysis

Related Compounds

5-(hydroxymethyl)-1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol
CID 163113772
(1R,6S,7S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
CID 25245021
(2R,6R,8R)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
CID 163187113
(2S,6S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene;(2S,6S,8S)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
CID 165035030
(1R,2R,4aS,5S,6S,8aS)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,2,5-triol
CID 11994819
(1S,2R,4aR,8aR)-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-ol
CID 101006297
(1R,2S,5S,6R,7R,8R)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,8]decan-7-ol
CID 162810997
1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene-3-carboxylic acid
CID 148847183
(1S,6R,7R)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
CID 25244198
1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
CID 519779
(4E,8S,9S,11R,14S)-8-hydroxy-4,8,14-trimethyl-11-propan-2-yltricyclo[7.5.0.010,14]tetradec-4-en-2-one
CID 10267055
(1S,4S,4aR,7S,8aR)-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,7,8-hexahydronaphthalene-1,7,8a-triol
CID 162933875

Frequently Asked Questions

What is the IUPAC name of (1R,3R,7S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol?
The IUPAC name of (1R,3R,7S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol (CID 162844275) is (1R,3R,7S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol.
What is the SMILES notation for (1R,3R,7S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol?
The canonical SMILES for (1R,3R,7S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol is CC1=CC(O)C2[C@@H]3C1[C@@]2(C)CC[C@H]3C(C)C.
What is the InChIKey of (1R,3R,7S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol?
The InChIKey is LTXWSWWXNHYXCW-DBHCIVLDSA-N. The full InChI is InChI=1S/C15H24O/c1-8(2)10-5-6-15(4)13-9(3)7-11(16)14(15)12(10)13/h7-8,10-14,16H,5-6H2,1-4H3/t10-,11?,12-,13?,14?,15+/m0/s1.
What are the key properties of (1R,3R,7S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol?
(1R,3R,7S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-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,3R,7S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol is sourced from PubChem (CID 162844275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).