[(2S,7aR)-1,1,7,7,7a-pentamethyl-2,4,5,6-tetrahydroinden-2-yl]methanol

C15H26O — CID 162922410

IUPAC[(2S,7aR)-1,1,7,7,7a-pentamethyl-2,4,5,6-tetrahydroinden-2-yl]methanol
SMILESCC1(C)CCCC2=C[C@H](CO)C(C)(C)[C@]21C
InChIInChI=1S/C15H26O/c1-13(2)8-6-7-11-9-12(10-16)14(3,4)15(11,13)5/h9,12,16H,6-8,10H2,1-5H3/t12-,15-/m1/s1
InChIKeyHPLQGFVYWQGCAW-IUODEOHRSA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds1

About [(2S,7aR)-1,1,7,7,7a-pentamethyl-2,4,5,6-tetrahydroinden-2-yl]methanol

[(2S,7aR)-1,1,7,7,7a-pentamethyl-2,4,5,6-tetrahydroinden-2-yl]methanol (PubChem CID 162922410) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is [(2S,7aR)-1,1,7,7,7a-pentamethyl-2,4,5,6-tetrahydroinden-2-yl]methanol.

Molecular Properties

Compound Name[(2S,7aR)-1,1,7,7,7a-pentamethyl-2,4,5,6-tetrahydroinden-2-yl]methanol
PubChem CID162922410
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name[(2S,7aR)-1,1,7,7,7a-pentamethyl-2,4,5,6-tetrahydroinden-2-yl]methanol
SMILESCC1(C)CCCC2=C[C@H](CO)C(C)(C)[C@]21C
InChIInChI=1S/C15H26O/c1-13(2)8-6-7-11-9-12(10-16)14(3,4)15(11,13)5/h9,12,16H,6-8,10H2,1-5H3/t12-,15-/m1/s1
InChIKeyHPLQGFVYWQGCAW-IUODEOHRSA-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 [(2S,7aR)-1,1,7,7,7a-pentamethyl-2,4,5,6-tetrahydroinden-2-yl]methanol?
The IUPAC name of [(2S,7aR)-1,1,7,7,7a-pentamethyl-2,4,5,6-tetrahydroinden-2-yl]methanol (CID 162922410) is [(2S,7aR)-1,1,7,7,7a-pentamethyl-2,4,5,6-tetrahydroinden-2-yl]methanol.
What is the SMILES notation for [(2S,7aR)-1,1,7,7,7a-pentamethyl-2,4,5,6-tetrahydroinden-2-yl]methanol?
The canonical SMILES for [(2S,7aR)-1,1,7,7,7a-pentamethyl-2,4,5,6-tetrahydroinden-2-yl]methanol is CC1(C)CCCC2=C[C@H](CO)C(C)(C)[C@]21C.
What is the InChIKey of [(2S,7aR)-1,1,7,7,7a-pentamethyl-2,4,5,6-tetrahydroinden-2-yl]methanol?
The InChIKey is HPLQGFVYWQGCAW-IUODEOHRSA-N. The full InChI is InChI=1S/C15H26O/c1-13(2)8-6-7-11-9-12(10-16)14(3,4)15(11,13)5/h9,12,16H,6-8,10H2,1-5H3/t12-,15-/m1/s1.
What are the key properties of [(2S,7aR)-1,1,7,7,7a-pentamethyl-2,4,5,6-tetrahydroinden-2-yl]methanol?
[(2S,7aR)-1,1,7,7,7a-pentamethyl-2,4,5,6-tetrahydroinden-2-yl]methanol 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 [(2S,7aR)-1,1,7,7,7a-pentamethyl-2,4,5,6-tetrahydroinden-2-yl]methanol is sourced from PubChem (CID 162922410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).