(3R,4S,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-ol

C15H26O — CID 14758694

IUPAC(3R,4S,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-ol
SMILESCC(C)[C@H]1CC(C)(C)[C@H](O)C2=C1CC[C@H]2C
InChIInChI=1S/C15H26O/c1-9(2)12-8-15(4,5)14(16)13-10(3)6-7-11(12)13/h9-10,12,14,16H,6-8H2,1-5H3/t10-,12-,14-/m1/s1
InChIKeyYAYULTVMGYOHHF-MPKXVKKWSA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds1

About (3R,4S,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-ol

(3R,4S,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-ol (PubChem CID 14758694) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (3R,4S,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-ol.

Molecular Properties

Compound Name(3R,4S,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-ol
PubChem CID14758694
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(3R,4S,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-ol
SMILESCC(C)[C@H]1CC(C)(C)[C@H](O)C2=C1CC[C@H]2C
InChIInChI=1S/C15H26O/c1-9(2)12-8-15(4,5)14(16)13-10(3)6-7-11(12)13/h9-10,12,14,16H,6-8H2,1-5H3/t10-,12-,14-/m1/s1
InChIKeyYAYULTVMGYOHHF-MPKXVKKWSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.78
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 (3R,4S,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-ol?
The IUPAC name of (3R,4S,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-ol (CID 14758694) is (3R,4S,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-ol.
What is the SMILES notation for (3R,4S,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-ol?
The canonical SMILES for (3R,4S,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-ol is CC(C)[C@H]1CC(C)(C)[C@H](O)C2=C1CC[C@H]2C.
What is the InChIKey of (3R,4S,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-ol?
The InChIKey is YAYULTVMGYOHHF-MPKXVKKWSA-N. The full InChI is InChI=1S/C15H26O/c1-9(2)12-8-15(4,5)14(16)13-10(3)6-7-11(12)13/h9-10,12,14,16H,6-8H2,1-5H3/t10-,12-,14-/m1/s1.
What are the key properties of (3R,4S,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-ol?
(3R,4S,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-ol has a molecular weight of 222.37 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-ol is sourced from PubChem (CID 14758694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).