(1R,2S,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]oct-3-en-2-ol

C17H24O — CID 10490517

IUPAC(1R,2S,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]oct-3-en-2-ol
SMILESC=C1[C@@H]2CC[C@@]1(C)[C@@](O)(C1=C(C)CCC1)C=C2C
InChIInChI=1S/C17H24O/c1-11-6-5-7-15(11)17(18)10-12(2)14-8-9-16(17,4)13(14)3/h10,14,18H,3,5-9H2,1-2,4H3/t14-,16-,17+/m1/s1
InChIKeyWPFWONIFABWKTF-OIISXLGYSA-N
MW244.38 g/mol
LogP4.15
Rot. Bonds1

About (1R,2S,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]oct-3-en-2-ol

(1R,2S,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]oct-3-en-2-ol (PubChem CID 10490517) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (1R,2S,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]oct-3-en-2-ol.

Molecular Properties

Compound Name(1R,2S,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]oct-3-en-2-ol
PubChem CID10490517
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(1R,2S,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]oct-3-en-2-ol
SMILESC=C1[C@@H]2CC[C@@]1(C)[C@@](O)(C1=C(C)CCC1)C=C2C
InChIInChI=1S/C17H24O/c1-11-6-5-7-15(11)17(18)10-12(2)14-8-9-16(17,4)13(14)3/h10,14,18H,3,5-9H2,1-2,4H3/t14-,16-,17+/m1/s1
InChIKeyWPFWONIFABWKTF-OIISXLGYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.15
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,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]oct-3-en-2-ol?
The IUPAC name of (1R,2S,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]oct-3-en-2-ol (CID 10490517) is (1R,2S,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]oct-3-en-2-ol.
What is the SMILES notation for (1R,2S,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]oct-3-en-2-ol?
The canonical SMILES for (1R,2S,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]oct-3-en-2-ol is C=C1[C@@H]2CC[C@@]1(C)[C@@](O)(C1=C(C)CCC1)C=C2C.
What is the InChIKey of (1R,2S,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]oct-3-en-2-ol?
The InChIKey is WPFWONIFABWKTF-OIISXLGYSA-N. The full InChI is InChI=1S/C17H24O/c1-11-6-5-7-15(11)17(18)10-12(2)14-8-9-16(17,4)13(14)3/h10,14,18H,3,5-9H2,1-2,4H3/t14-,16-,17+/m1/s1.
What are the key properties of (1R,2S,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]oct-3-en-2-ol?
(1R,2S,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]oct-3-en-2-ol has a molecular weight of 244.38 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-1,4-dimethyl-2-(2-methylcyclopenten-1-yl)-8-methylidenebicyclo[3.2.1]oct-3-en-2-ol is sourced from PubChem (CID 10490517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).