(1aS,2S,3R,3aS,5S,7aR,7bR)-5,7b-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1aH-naphtho[1,2-b]oxiren-2-ol

C15H24O2 — CID 10999003

IUPAC(1aS,2S,3R,3aS,5S,7aR,7bR)-5,7b-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1aH-naphtho[1,2-b]oxiren-2-ol
SMILESC=C(C)[C@@H]1[C@H](O)[C@@H]2O[C@]2(C)[C@@H]2CC[C@H](C)C[C@@H]12
InChIInChI=1S/C15H24O2/c1-8(2)12-10-7-9(3)5-6-11(10)15(4)14(17-15)13(12)16/h9-14,16H,1,5-7H2,2-4H3/t9-,10+,11+,12-,13-,14-,15+/m0/s1
InChIKeyAGVVMVNNMJUBCX-HIDDOJLPSA-N
MW236.35 g/mol
LogP2.76
Rot. Bonds1

About (1aS,2S,3R,3aS,5S,7aR,7bR)-5,7b-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1aH-naphtho[1,2-b]oxiren-2-ol

(1aS,2S,3R,3aS,5S,7aR,7bR)-5,7b-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1aH-naphtho[1,2-b]oxiren-2-ol (PubChem CID 10999003) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1aS,2S,3R,3aS,5S,7aR,7bR)-5,7b-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1aH-naphtho[1,2-b]oxiren-2-ol.

Molecular Properties

Compound Name(1aS,2S,3R,3aS,5S,7aR,7bR)-5,7b-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1aH-naphtho[1,2-b]oxiren-2-ol
PubChem CID10999003
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1aS,2S,3R,3aS,5S,7aR,7bR)-5,7b-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1aH-naphtho[1,2-b]oxiren-2-ol
SMILESC=C(C)[C@@H]1[C@H](O)[C@@H]2O[C@]2(C)[C@@H]2CC[C@H](C)C[C@@H]12
InChIInChI=1S/C15H24O2/c1-8(2)12-10-7-9(3)5-6-11(10)15(4)14(17-15)13(12)16/h9-14,16H,1,5-7H2,2-4H3/t9-,10+,11+,12-,13-,14-,15+/m0/s1
InChIKeyAGVVMVNNMJUBCX-HIDDOJLPSA-N
XLogP2.76
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1aS,2S,3R,3aS,5S,7aR,7bR)-5,7b-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1aH-naphtho[1,2-b]oxiren-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1aS,2S,3R,3aS,5S,7aR,7bR)-5,7b-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1aH-naphtho[1,2-b]oxiren-2-ol?
The IUPAC name of (1aS,2S,3R,3aS,5S,7aR,7bR)-5,7b-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1aH-naphtho[1,2-b]oxiren-2-ol (CID 10999003) is (1aS,2S,3R,3aS,5S,7aR,7bR)-5,7b-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1aH-naphtho[1,2-b]oxiren-2-ol.
What is the SMILES notation for (1aS,2S,3R,3aS,5S,7aR,7bR)-5,7b-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1aH-naphtho[1,2-b]oxiren-2-ol?
The canonical SMILES for (1aS,2S,3R,3aS,5S,7aR,7bR)-5,7b-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1aH-naphtho[1,2-b]oxiren-2-ol is C=C(C)[C@@H]1[C@H](O)[C@@H]2O[C@]2(C)[C@@H]2CC[C@H](C)C[C@@H]12.
What is the InChIKey of (1aS,2S,3R,3aS,5S,7aR,7bR)-5,7b-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1aH-naphtho[1,2-b]oxiren-2-ol?
The InChIKey is AGVVMVNNMJUBCX-HIDDOJLPSA-N. The full InChI is InChI=1S/C15H24O2/c1-8(2)12-10-7-9(3)5-6-11(10)15(4)14(17-15)13(12)16/h9-14,16H,1,5-7H2,2-4H3/t9-,10+,11+,12-,13-,14-,15+/m0/s1.
What are the key properties of (1aS,2S,3R,3aS,5S,7aR,7bR)-5,7b-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1aH-naphtho[1,2-b]oxiren-2-ol?
(1aS,2S,3R,3aS,5S,7aR,7bR)-5,7b-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1aH-naphtho[1,2-b]oxiren-2-ol has a molecular weight of 236.35 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1aS,2S,3R,3aS,5S,7aR,7bR)-5,7b-dimethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1aH-naphtho[1,2-b]oxiren-2-ol is sourced from PubChem (CID 10999003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).