(1R,2R,4S,5R,9S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-2,9-diol

C15H26O2 — CID 139207830

IUPAC(1R,2R,4S,5R,9S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-2,9-diol
SMILESCC1=CC[C@@]2(C[C@@H]1O)[C@H](C(C)C)C[C@@H](O)[C@@H]2C
InChIInChI=1S/C15H26O2/c1-9(2)12-7-13(16)11(4)15(12)6-5-10(3)14(17)8-15/h5,9,11-14,16-17H,6-8H2,1-4H3/t11-,12-,13+,14-,15-/m0/s1
InChIKeyRXMXMWFKJQDRMK-RMEBNNNOSA-N
MW238.37 g/mol
LogP2.75
Rot. Bonds1

About (1R,2R,4S,5R,9S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-2,9-diol

(1R,2R,4S,5R,9S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-2,9-diol (PubChem CID 139207830) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,2R,4S,5R,9S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-2,9-diol.

Molecular Properties

Compound Name(1R,2R,4S,5R,9S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-2,9-diol
PubChem CID139207830
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,2R,4S,5R,9S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-2,9-diol
SMILESCC1=CC[C@@]2(C[C@@H]1O)[C@H](C(C)C)C[C@@H](O)[C@@H]2C
InChIInChI=1S/C15H26O2/c1-9(2)12-7-13(16)11(4)15(12)6-5-10(3)14(17)8-15/h5,9,11-14,16-17H,6-8H2,1-4H3/t11-,12-,13+,14-,15-/m0/s1
InChIKeyRXMXMWFKJQDRMK-RMEBNNNOSA-N
XLogP2.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,2R,4S,5R,9S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-2,9-diol?
The IUPAC name of (1R,2R,4S,5R,9S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-2,9-diol (CID 139207830) is (1R,2R,4S,5R,9S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-2,9-diol.
What is the SMILES notation for (1R,2R,4S,5R,9S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-2,9-diol?
The canonical SMILES for (1R,2R,4S,5R,9S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-2,9-diol is CC1=CC[C@@]2(C[C@@H]1O)[C@H](C(C)C)C[C@@H](O)[C@@H]2C.
What is the InChIKey of (1R,2R,4S,5R,9S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-2,9-diol?
The InChIKey is RXMXMWFKJQDRMK-RMEBNNNOSA-N. The full InChI is InChI=1S/C15H26O2/c1-9(2)12-7-13(16)11(4)15(12)6-5-10(3)14(17)8-15/h5,9,11-14,16-17H,6-8H2,1-4H3/t11-,12-,13+,14-,15-/m0/s1.
What are the key properties of (1R,2R,4S,5R,9S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-2,9-diol?
(1R,2R,4S,5R,9S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-2,9-diol has a molecular weight of 238.37 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5R,9S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-2,9-diol is sourced from PubChem (CID 139207830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).