(1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,8-tetrahydro-1H-naphthalen-2-ol

C20H34O2 — CID 10357832

IUPAC(1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,8-tetrahydro-1H-naphthalen-2-ol
SMILESC=C[C@](C)(O)CC[C@@H]1[C@@]2(C)CC=CC(C)(C)[C@@H]2CC[C@@]1(C)O
InChIInChI=1S/C20H34O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7-8,11,15-16,21-22H,1,9-10,12-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1
InChIKeyMRCOBSMQGHRJEF-HHUCQEJWSA-N
MW306.49 g/mol
LogP4.47
Rot. Bonds4

About (1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,8-tetrahydro-1H-naphthalen-2-ol

(1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,8-tetrahydro-1H-naphthalen-2-ol (PubChem CID 10357832) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,8-tetrahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name(1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,8-tetrahydro-1H-naphthalen-2-ol
PubChem CID10357832
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,8-tetrahydro-1H-naphthalen-2-ol
SMILESC=C[C@](C)(O)CC[C@@H]1[C@@]2(C)CC=CC(C)(C)[C@@H]2CC[C@@]1(C)O
InChIInChI=1S/C20H34O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7-8,11,15-16,21-22H,1,9-10,12-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1
InChIKeyMRCOBSMQGHRJEF-HHUCQEJWSA-N
XLogP4.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,8-tetrahydro-1H-naphthalen-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,8-tetrahydro-1H-naphthalen-2-ol?
The IUPAC name of (1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,8-tetrahydro-1H-naphthalen-2-ol (CID 10357832) is (1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,8-tetrahydro-1H-naphthalen-2-ol.
What is the SMILES notation for (1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,8-tetrahydro-1H-naphthalen-2-ol?
The canonical SMILES for (1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,8-tetrahydro-1H-naphthalen-2-ol is C=C[C@](C)(O)CC[C@@H]1[C@@]2(C)CC=CC(C)(C)[C@@H]2CC[C@@]1(C)O.
What is the InChIKey of (1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,8-tetrahydro-1H-naphthalen-2-ol?
The InChIKey is MRCOBSMQGHRJEF-HHUCQEJWSA-N. The full InChI is InChI=1S/C20H34O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7-8,11,15-16,21-22H,1,9-10,12-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1.
What are the key properties of (1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,8-tetrahydro-1H-naphthalen-2-ol?
(1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,8-tetrahydro-1H-naphthalen-2-ol has a molecular weight of 306.49 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,8-tetrahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 10357832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).