(1R,3R,3aS,6R,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-1,6-diol

C15H24O2 — CID 10354118

IUPAC(1R,3R,3aS,6R,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-1,6-diol
SMILESC=C1C[C@H]2[C@H](C(=C)C)C[C@@H](O)[C@]2(C)CC[C@H]1O
InChIInChI=1S/C15H24O2/c1-9(2)11-8-14(17)15(4)6-5-13(16)10(3)7-12(11)15/h11-14,16-17H,1,3,5-8H2,2,4H3/t11-,12-,13+,14+,15+/m0/s1
InChIKeyXOYOTPRKWCZQCR-VQJWOFKYSA-N
MW236.35 g/mol
LogP2.67
Rot. Bonds1

About (1R,3R,3aS,6R,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-1,6-diol

(1R,3R,3aS,6R,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-1,6-diol (PubChem CID 10354118) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,3R,3aS,6R,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-1,6-diol.

Molecular Properties

Compound Name(1R,3R,3aS,6R,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-1,6-diol
PubChem CID10354118
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,3R,3aS,6R,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-1,6-diol
SMILESC=C1C[C@H]2[C@H](C(=C)C)C[C@@H](O)[C@]2(C)CC[C@H]1O
InChIInChI=1S/C15H24O2/c1-9(2)11-8-14(17)15(4)6-5-13(16)10(3)7-12(11)15/h11-14,16-17H,1,3,5-8H2,2,4H3/t11-,12-,13+,14+,15+/m0/s1
InChIKeyXOYOTPRKWCZQCR-VQJWOFKYSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,3R,3aS,6R,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-1,6-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,3S,3aS,5R,8aS)-3-methyl-8-methylidene-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene-1,8a-diol
CID 145977651
(1aS,4aS,6R,7S,7aS,7bS)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulene-6,7-diol
CID 16091551
Teucladiol
CID 16046185
1-(2-Hydroxypropan-2-yl)-3a-methyl-6,10-bis(methylene)tetradecahydrocyclopenta[11]annulene-5,9-diol
CID 51136415
(1S,3aR,4R,8aR)-7-(hydroxymethyl)-3a-methyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-azulen-4-ol
CID 155546537
(1R,3aR,5S,8S,8aS)-3a-methyl-6-methylidene-1-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-azulene-1,5,8-triol
CID 14681670
(3R,3aS,4R,8S,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-4,8-diol
CID 46849805
(3R,3aR,4S,8R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-4,8-diol
CID 163017366
Chokol B
CID 181329
Trichocarotin H
CID 148214470
(3S,3aR,4R,8aS)-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulen-4-ol
CID 10421115
(1R,3aS,7R,8aR)-7-(2-hydroxypropan-2-yl)-1-methyl-4-methylidene-2,3,3a,5,6,7,8,8a-octahydroazulen-1-ol
CID 14081875

Frequently Asked Questions

What is the IUPAC name of (1R,3R,3aS,6R,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-1,6-diol?
The IUPAC name of (1R,3R,3aS,6R,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-1,6-diol (CID 10354118) is (1R,3R,3aS,6R,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-1,6-diol.
What is the SMILES notation for (1R,3R,3aS,6R,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-1,6-diol?
The canonical SMILES for (1R,3R,3aS,6R,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-1,6-diol is C=C1C[C@H]2[C@H](C(=C)C)C[C@@H](O)[C@]2(C)CC[C@H]1O.
What is the InChIKey of (1R,3R,3aS,6R,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-1,6-diol?
The InChIKey is XOYOTPRKWCZQCR-VQJWOFKYSA-N. The full InChI is InChI=1S/C15H24O2/c1-9(2)11-8-14(17)15(4)6-5-13(16)10(3)7-12(11)15/h11-14,16-17H,1,3,5-8H2,2,4H3/t11-,12-,13+,14+,15+/m0/s1.
What are the key properties of (1R,3R,3aS,6R,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-1,6-diol?
(1R,3R,3aS,6R,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-1,6-diol has a molecular weight of 236.35 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,3aS,6R,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-1,6-diol is sourced from PubChem (CID 10354118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).