(1R,4aR,8R)-5,5,8-trimethyl-2-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1-carbaldehyde

C15H24O — CID 101350818

IUPAC(1R,4aR,8R)-5,5,8-trimethyl-2-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1-carbaldehyde
SMILESC=C1CC[C@@H]2C(C(C)CCC2(C)C)[C@H]1C=O
InChIInChI=1S/C15H24O/c1-10-5-6-13-14(12(10)9-16)11(2)7-8-15(13,3)4/h9,11-14H,1,5-8H2,2-4H3/t11?,12-,13+,14?/m0/s1
InChIKeyHCPQEAIJXBHNRY-YIFLHPOLSA-N
MW220.36 g/mol
LogP3.84
Rot. Bonds1

About (1R,4aR,8R)-5,5,8-trimethyl-2-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1-carbaldehyde

(1R,4aR,8R)-5,5,8-trimethyl-2-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1-carbaldehyde (PubChem CID 101350818) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,4aR,8R)-5,5,8-trimethyl-2-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name(1R,4aR,8R)-5,5,8-trimethyl-2-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1-carbaldehyde
PubChem CID101350818
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,4aR,8R)-5,5,8-trimethyl-2-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1-carbaldehyde
SMILESC=C1CC[C@@H]2C(C(C)CCC2(C)C)[C@H]1C=O
InChIInChI=1S/C15H24O/c1-10-5-6-13-14(12(10)9-16)11(2)7-8-15(13,3)4/h9,11-14H,1,5-8H2,2-4H3/t11?,12-,13+,14?/m0/s1
InChIKeyHCPQEAIJXBHNRY-YIFLHPOLSA-N
XLogP3.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,4aR,8R)-5,5,8-trimethyl-2-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1-carbaldehyde?
The IUPAC name of (1R,4aR,8R)-5,5,8-trimethyl-2-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1-carbaldehyde (CID 101350818) is (1R,4aR,8R)-5,5,8-trimethyl-2-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1-carbaldehyde.
What is the SMILES notation for (1R,4aR,8R)-5,5,8-trimethyl-2-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1-carbaldehyde?
The canonical SMILES for (1R,4aR,8R)-5,5,8-trimethyl-2-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1-carbaldehyde is C=C1CC[C@@H]2C(C(C)CCC2(C)C)[C@H]1C=O.
What is the InChIKey of (1R,4aR,8R)-5,5,8-trimethyl-2-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1-carbaldehyde?
The InChIKey is HCPQEAIJXBHNRY-YIFLHPOLSA-N. The full InChI is InChI=1S/C15H24O/c1-10-5-6-13-14(12(10)9-16)11(2)7-8-15(13,3)4/h9,11-14H,1,5-8H2,2-4H3/t11?,12-,13+,14?/m0/s1.
What are the key properties of (1R,4aR,8R)-5,5,8-trimethyl-2-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1-carbaldehyde?
(1R,4aR,8R)-5,5,8-trimethyl-2-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1-carbaldehyde has a molecular weight of 220.36 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4aR,8R)-5,5,8-trimethyl-2-methylidene-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 101350818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).