(1R,2S,4R)-2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C14H24O — CID 11492181

IUPAC(1R,2S,4R)-2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESC=C[C@@H](C)[C@@]1(O)C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C14H24O/c1-6-10(2)14(15)9-11-7-8-13(14,5)12(11,3)4/h6,10-11,15H,1,7-9H2,2-5H3/t10-,11-,13-,14+/m1/s1
InChIKeyYDAIKVTVMRNDBG-OXHZDVMGSA-N
MW208.34 g/mol
LogP3.39
Rot. Bonds2

About (1R,2S,4R)-2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

(1R,2S,4R)-2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 11492181) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (1R,2S,4R)-2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2S,4R)-2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID11492181
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(1R,2S,4R)-2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESC=C[C@@H](C)[C@@]1(O)C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C14H24O/c1-6-10(2)14(15)9-11-7-8-13(14,5)12(11,3)4/h6,10-11,15H,1,7-9H2,2-5H3/t10-,11-,13-,14+/m1/s1
InChIKeyYDAIKVTVMRNDBG-OXHZDVMGSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2S,4R)-2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 11492181) is (1R,2S,4R)-2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2S,4R)-2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2S,4R)-2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is C=C[C@@H](C)[C@@]1(O)C[C@H]2CC[C@]1(C)C2(C)C.
What is the InChIKey of (1R,2S,4R)-2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is YDAIKVTVMRNDBG-OXHZDVMGSA-N. The full InChI is InChI=1S/C14H24O/c1-6-10(2)14(15)9-11-7-8-13(14,5)12(11,3)4/h6,10-11,15H,1,7-9H2,2-5H3/t10-,11-,13-,14+/m1/s1.
What are the key properties of (1R,2S,4R)-2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
(1R,2S,4R)-2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 208.34 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-2-[(2R)-but-3-en-2-yl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 11492181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).