(1S,3R,6R,7S,8S)-3-methyl-2-methylidene-6-propan-2-yltricyclo[5.2.1.03,8]decane

C15H24 — CID 131851742

IUPAC(1S,3R,6R,7S,8S)-3-methyl-2-methylidene-6-propan-2-yltricyclo[5.2.1.03,8]decane
SMILESC=C1C2C[C@H]3[C@@H](C(C)C)CC[C@]1(C)[C@H]3C2
InChIInChI=1S/C15H24/c1-9(2)12-5-6-15(4)10(3)11-7-13(12)14(15)8-11/h9,11-14H,3,5-8H2,1-2,4H3/t11?,12-,13+,14+,15+/m1/s1
InChIKeyCGZBLYYTRIVVTD-DVAATCQBSA-N
MW204.36 g/mol
LogP4.27
Rot. Bonds1

About (1S,3R,6R,7S,8S)-3-methyl-2-methylidene-6-propan-2-yltricyclo[5.2.1.03,8]decane

(1S,3R,6R,7S,8S)-3-methyl-2-methylidene-6-propan-2-yltricyclo[5.2.1.03,8]decane (PubChem CID 131851742) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1S,3R,6R,7S,8S)-3-methyl-2-methylidene-6-propan-2-yltricyclo[5.2.1.03,8]decane.

Molecular Properties

Compound Name(1S,3R,6R,7S,8S)-3-methyl-2-methylidene-6-propan-2-yltricyclo[5.2.1.03,8]decane
PubChem CID131851742
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S,3R,6R,7S,8S)-3-methyl-2-methylidene-6-propan-2-yltricyclo[5.2.1.03,8]decane
SMILESC=C1C2C[C@H]3[C@@H](C(C)C)CC[C@]1(C)[C@H]3C2
InChIInChI=1S/C15H24/c1-9(2)12-5-6-15(4)10(3)11-7-13(12)14(15)8-11/h9,11-14H,3,5-8H2,1-2,4H3/t11?,12-,13+,14+,15+/m1/s1
InChIKeyCGZBLYYTRIVVTD-DVAATCQBSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,6R,7S,8S)-3-methyl-2-methylidene-6-propan-2-yltricyclo[5.2.1.03,8]decane?
The IUPAC name of (1S,3R,6R,7S,8S)-3-methyl-2-methylidene-6-propan-2-yltricyclo[5.2.1.03,8]decane (CID 131851742) is (1S,3R,6R,7S,8S)-3-methyl-2-methylidene-6-propan-2-yltricyclo[5.2.1.03,8]decane.
What is the SMILES notation for (1S,3R,6R,7S,8S)-3-methyl-2-methylidene-6-propan-2-yltricyclo[5.2.1.03,8]decane?
The canonical SMILES for (1S,3R,6R,7S,8S)-3-methyl-2-methylidene-6-propan-2-yltricyclo[5.2.1.03,8]decane is C=C1C2C[C@H]3[C@@H](C(C)C)CC[C@]1(C)[C@H]3C2.
What is the InChIKey of (1S,3R,6R,7S,8S)-3-methyl-2-methylidene-6-propan-2-yltricyclo[5.2.1.03,8]decane?
The InChIKey is CGZBLYYTRIVVTD-DVAATCQBSA-N. The full InChI is InChI=1S/C15H24/c1-9(2)12-5-6-15(4)10(3)11-7-13(12)14(15)8-11/h9,11-14H,3,5-8H2,1-2,4H3/t11?,12-,13+,14+,15+/m1/s1.
What are the key properties of (1S,3R,6R,7S,8S)-3-methyl-2-methylidene-6-propan-2-yltricyclo[5.2.1.03,8]decane?
(1S,3R,6R,7S,8S)-3-methyl-2-methylidene-6-propan-2-yltricyclo[5.2.1.03,8]decane has a molecular weight of 204.36 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,6R,7S,8S)-3-methyl-2-methylidene-6-propan-2-yltricyclo[5.2.1.03,8]decane is sourced from PubChem (CID 131851742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).