5-(1,4a,5-trimethyl-2-methylidene-8aH-naphthalen-1-yl)-3-methylpent-1-en-3-ol

C20H28O — CID 20598217

IUPAC5-(1,4a,5-trimethyl-2-methylidene-8aH-naphthalen-1-yl)-3-methylpent-1-en-3-ol
SMILESC=CC(C)(O)CCC1(C)C(=C)C=CC2(C)C(C)=CC=CC21
InChIInChI=1S/C20H28O/c1-7-18(4,21)13-14-20(6)16(3)11-12-19(5)15(2)9-8-10-17(19)20/h7-12,17,21H,1,3,13-14H2,2,4-6H3
InChIKeyGODOWOXYNPKTTB-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.97
Rot. Bonds4

About 5-(1,4a,5-trimethyl-2-methylidene-8aH-naphthalen-1-yl)-3-methylpent-1-en-3-ol

5-(1,4a,5-trimethyl-2-methylidene-8aH-naphthalen-1-yl)-3-methylpent-1-en-3-ol (PubChem CID 20598217) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is 5-(1,4a,5-trimethyl-2-methylidene-8aH-naphthalen-1-yl)-3-methylpent-1-en-3-ol.

Molecular Properties

Compound Name5-(1,4a,5-trimethyl-2-methylidene-8aH-naphthalen-1-yl)-3-methylpent-1-en-3-ol
PubChem CID20598217
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name5-(1,4a,5-trimethyl-2-methylidene-8aH-naphthalen-1-yl)-3-methylpent-1-en-3-ol
SMILESC=CC(C)(O)CCC1(C)C(=C)C=CC2(C)C(C)=CC=CC21
InChIInChI=1S/C20H28O/c1-7-18(4,21)13-14-20(6)16(3)11-12-19(5)15(2)9-8-10-17(19)20/h7-12,17,21H,1,3,13-14H2,2,4-6H3
InChIKeyGODOWOXYNPKTTB-UHFFFAOYSA-N
XLogP4.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(1,4a,5-trimethyl-2-methylidene-8aH-naphthalen-1-yl)-3-methylpent-1-en-3-ol 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

Valerianol
CID 9859337
Zingiberenol
CID 13213649
1,2,3,4,6,7,8,8a-Octahydro-alpha,alpha,8,8a-tetramethyl-2-naphthalenemethanol
CID 146808
Rosifoliol
CID 527256
18-Deoxysagittarol
CID 12305526
Isomanool
CID 15923774
Pacificin F
CID 21574267
2-(4a,8-Dimethyl-1,2,3,4,4a,8a-hexahydro-2-naphthalenyl)-2-propanol
CID 583110
2-((2R,4AR,8S)-4A,8-Dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-YL)propan-2-OL
CID 10727766
Occidentalol
CID 11138655
Eremoligenol
CID 21591456
Eudesm-5-en-11-ol
CID 68738243

Frequently Asked Questions

What is the IUPAC name of 5-(1,4a,5-trimethyl-2-methylidene-8aH-naphthalen-1-yl)-3-methylpent-1-en-3-ol?
The IUPAC name of 5-(1,4a,5-trimethyl-2-methylidene-8aH-naphthalen-1-yl)-3-methylpent-1-en-3-ol (CID 20598217) is 5-(1,4a,5-trimethyl-2-methylidene-8aH-naphthalen-1-yl)-3-methylpent-1-en-3-ol.
What is the SMILES notation for 5-(1,4a,5-trimethyl-2-methylidene-8aH-naphthalen-1-yl)-3-methylpent-1-en-3-ol?
The canonical SMILES for 5-(1,4a,5-trimethyl-2-methylidene-8aH-naphthalen-1-yl)-3-methylpent-1-en-3-ol is C=CC(C)(O)CCC1(C)C(=C)C=CC2(C)C(C)=CC=CC21.
What is the InChIKey of 5-(1,4a,5-trimethyl-2-methylidene-8aH-naphthalen-1-yl)-3-methylpent-1-en-3-ol?
The InChIKey is GODOWOXYNPKTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O/c1-7-18(4,21)13-14-20(6)16(3)11-12-19(5)15(2)9-8-10-17(19)20/h7-12,17,21H,1,3,13-14H2,2,4-6H3.
What are the key properties of 5-(1,4a,5-trimethyl-2-methylidene-8aH-naphthalen-1-yl)-3-methylpent-1-en-3-ol?
5-(1,4a,5-trimethyl-2-methylidene-8aH-naphthalen-1-yl)-3-methylpent-1-en-3-ol has a molecular weight of 284.44 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4a,5-trimethyl-2-methylidene-8aH-naphthalen-1-yl)-3-methylpent-1-en-3-ol is sourced from PubChem (CID 20598217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).